N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-methylphenyl]-N-hydroxypropanamide

C96H113BrIN5O15 — CID 158664946

IUPACN-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-methylphenyl]-N-hydroxypropanamide
SMILESCCC(=O)N(O)c1ccc(Br)cc1COc1ccc(C)cc1C.CCC(=O)N(O)c1ccc(C)cc1COc1ccc(C)cc1C.CCC(=O)N(O)c1ccc(C2CC2)cc1COc1ccc(C)cc1C.CCC(=O)N(O)c1ccc(CC)cc1COc1ccc(C)cc1C.CCC(=O)N(O)c1ccc(I)cc1COc1ccc(C)cc1C
InChIInChI=1S/C21H25NO3.C20H25NO3.C19H23NO3.C18H20BrNO3.C18H20INO3/c1-4-21(23)22(24)19-9-8-17(16-6-7-16)12-18(19)13-25-20-10-5-14(2)11-15(20)3;1-5-16-8-9-18(21(23)20(22)6-2)17(12-16)13-24-19-10-7-14(3)11-15(19)4;1-5-19(21)20(22)17-8-6-14(3)11-16(17)12-23-18-9-7-13(2)10-15(18)4;2*1-4-18(21)20(22)16-7-6-15(19)10-14(16)11-23-17-8-5-12(2)9-13(17)3/h5,8-12,16,24H,4,6-7,13H2,1-3H3;7-12,23H,5-6,13H2,1-4H3;6-11,22H,5,12H2,1-4H3;2*5-10,22H,4,11H2,1-3H3
InChIKeyIDFQNLZWPCZSTJ-UHFFFAOYSA-N
MW1783.79 g/mol
LogP23.19
Rot. Bonds27

About N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-methylphenyl]-N-hydroxypropanamide

N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-methylphenyl]-N-hydroxypropanamide (PubChem CID 158664946) has the molecular formula C96H113BrIN5O15 and a molecular weight of 1783.79 g/mol. Its IUPAC name is N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-methylphenyl]-N-hydroxypropanamide.

Molecular Properties

Compound NameN-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-methylphenyl]-N-hydroxypropanamide
PubChem CID158664946
Molecular FormulaC96H113BrIN5O15
Molecular Weight1783.79 g/mol
Exact Mass1781.65
IUPAC NameN-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-methylphenyl]-N-hydroxypropanamide
SMILESCCC(=O)N(O)c1ccc(Br)cc1COc1ccc(C)cc1C.CCC(=O)N(O)c1ccc(C)cc1COc1ccc(C)cc1C.CCC(=O)N(O)c1ccc(C2CC2)cc1COc1ccc(C)cc1C.CCC(=O)N(O)c1ccc(CC)cc1COc1ccc(C)cc1C.CCC(=O)N(O)c1ccc(I)cc1COc1ccc(C)cc1C
InChIInChI=1S/C21H25NO3.C20H25NO3.C19H23NO3.C18H20BrNO3.C18H20INO3/c1-4-21(23)22(24)19-9-8-17(16-6-7-16)12-18(19)13-25-20-10-5-14(2)11-15(20)3;1-5-16-8-9-18(21(23)20(22)6-2)17(12-16)13-24-19-10-7-14(3)11-15(19)4;1-5-19(21)20(22)17-8-6-14(3)11-16(17)12-23-18-9-7-13(2)10-15(18)4;2*1-4-18(21)20(22)16-7-6-15(19)10-14(16)11-23-17-8-5-12(2)9-13(17)3/h5,8-12,16,24H,4,6-7,13H2,1-3H3;7-12,23H,5-6,13H2,1-4H3;6-11,22H,5,12H2,1-4H3;2*5-10,22H,4,11H2,1-3H3
InChIKeyIDFQNLZWPCZSTJ-UHFFFAOYSA-N
XLogP23.19
TPSA248.85 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001783.79
LogP ≤ 523.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-methylphenyl]-N-hydroxypropanamide?
The IUPAC name of N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-methylphenyl]-N-hydroxypropanamide (CID 158664946) is N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-methylphenyl]-N-hydroxypropanamide.
What is the SMILES notation for N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-methylphenyl]-N-hydroxypropanamide?
The canonical SMILES for N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-methylphenyl]-N-hydroxypropanamide is CCC(=O)N(O)c1ccc(Br)cc1COc1ccc(C)cc1C.CCC(=O)N(O)c1ccc(C)cc1COc1ccc(C)cc1C.CCC(=O)N(O)c1ccc(C2CC2)cc1COc1ccc(C)cc1C.CCC(=O)N(O)c1ccc(CC)cc1COc1ccc(C)cc1C.CCC(=O)N(O)c1ccc(I)cc1COc1ccc(C)cc1C.
What is the InChIKey of N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-methylphenyl]-N-hydroxypropanamide?
The InChIKey is IDFQNLZWPCZSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3.C20H25NO3.C19H23NO3.C18H20BrNO3.C18H20INO3/c1-4-21(23)22(24)19-9-8-17(16-6-7-16)12-18(19)13-25-20-10-5-14(2)11-15(20)3;1-5-16-8-9-18(21(23)20(22)6-2)17(12-16)13-24-19-10-7-14(3)11-15(19)4;1-5-19(21)20(22)17-8-6-14(3)11-16(17)12-23-18-9-7-13(2)10-15(18)4;2*1-4-18(21)20(22)16-7-6-15(19)10-14(16)11-23-17-8-5-12(2)9-13(17)3/h5,8-12,16,24H,4,6-7,13H2,1-3H3;7-12,23H,5-6,13H2,1-4H3;6-11,22H,5,12H2,1-4H3;2*5-10,22H,4,11H2,1-3H3.
What are the key properties of N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-methylphenyl]-N-hydroxypropanamide?
N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-methylphenyl]-N-hydroxypropanamide has a molecular weight of 1783.79 g/mol, XLogP of 23.19, 27 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-methylphenyl]-N-hydroxypropanamide is sourced from PubChem (CID 158664946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).