N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide

C19H22ClNO3 — CID 126589113

IUPACN-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide
SMILESCCC(=O)N(O)c1ccc(Cl)cc1COc1ccc(CC)cc1C
InChIInChI=1S/C19H22ClNO3/c1-4-14-6-9-18(13(3)10-14)24-12-15-11-16(20)7-8-17(15)21(23)19(22)5-2/h6-11,23H,4-5,12H2,1-3H3
InChIKeySTFUSTRJZWSLCS-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.92
Rot. Bonds6

About N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide

N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide (PubChem CID 126589113) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide
PubChem CID126589113
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide
SMILESCCC(=O)N(O)c1ccc(Cl)cc1COc1ccc(CC)cc1C
InChIInChI=1S/C19H22ClNO3/c1-4-14-6-9-18(13(3)10-14)24-12-15-11-16(20)7-8-17(15)21(23)19(22)5-2/h6-11,23H,4-5,12H2,1-3H3
InChIKeySTFUSTRJZWSLCS-UHFFFAOYSA-N
XLogP4.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide
CID 126589342
methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]-N-hydroxycarbamate
CID 126588583
S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethylphenyl]-N-hydroxycarbamothioate
CID 129039812
N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanethioamide
CID 126589418
N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide
CID 126589180
O-methyl N-[4-bromo-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate
CID 126515977
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
2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051602
O-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-propan-2-ylphenyl]-N-hydroxycarbamothioate
CID 126587421
O-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate
CID 126588495
ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589055
1-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylphenyl]-1-hydroxy-3-methylurea
CID 126587966

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide?
The IUPAC name of N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide (CID 126589113) is N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide.
What is the SMILES notation for N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide?
The canonical SMILES for N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide is CCC(=O)N(O)c1ccc(Cl)cc1COc1ccc(CC)cc1C.
What is the InChIKey of N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide?
The InChIKey is STFUSTRJZWSLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-4-14-6-9-18(13(3)10-14)24-12-15-11-16(20)7-8-17(15)21(23)19(22)5-2/h6-11,23H,4-5,12H2,1-3H3.
What are the key properties of N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide?
N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide has a molecular weight of 347.84 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide is sourced from PubChem (CID 126589113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).