N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide

C18H20BrNO2 — CID 7695554

IUPACN-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C18H20BrNO2/c1-13-5-8-15(9-6-13)22-11-3-4-18(21)20-17-10-7-14(2)12-16(17)19/h5-10,12H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyZRABVQBJBOVRSN-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.86
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide

N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide (PubChem CID 7695554) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
PubChem CID7695554
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC NameN-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C18H20BrNO2/c1-13-5-8-15(9-6-13)22-11-3-4-18(21)20-17-10-7-14(2)12-16(17)19/h5-10,12H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyZRABVQBJBOVRSN-UHFFFAOYSA-N
XLogP4.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromo-4-methylphenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide
CID 19188606
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 17395169
N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 53268051
4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide
CID 84551759
4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 2684775
N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide
CID 53268050
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7991934
N-(2-bromo-4-methylphenyl)-3-(4-butoxyphenyl)prop-2-enamide
CID 3590404
4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide
CID 51188569
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 19202702

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide (CID 7695554) is N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide is Cc1ccc(OCCCC(=O)Nc2ccc(C)cc2Br)cc1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide?
The InChIKey is ZRABVQBJBOVRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-13-5-8-15(9-6-13)22-11-3-4-18(21)20-17-10-7-14(2)12-16(17)19/h5-10,12H,3-4,11H2,1-2H3,(H,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide?
N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide has a molecular weight of 362.27 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 7695554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).