N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide

C17H17BrClNO2 — CID 4174963

IUPACN-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H17BrClNO2/c1-12-11-14(19)6-9-16(12)22-10-2-3-17(21)20-15-7-4-13(18)5-8-15/h4-9,11H,2-3,10H2,1H3,(H,20,21)
InChIKeyJXBIVLZRGHYBOZ-UHFFFAOYSA-N
MW382.69 g/mol
LogP5.21
Rot. Bonds6

About N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide

N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide (PubChem CID 4174963) has the molecular formula C17H17BrClNO2 and a molecular weight of 382.69 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide
PubChem CID4174963
Molecular FormulaC17H17BrClNO2
Molecular Weight382.69 g/mol
Exact Mass381.01
IUPAC NameN-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H17BrClNO2/c1-12-11-14(19)6-9-16(12)22-10-2-3-17(21)20-15-7-4-13(18)5-8-15/h4-9,11H,2-3,10H2,1H3,(H,20,21)
InChIKeyJXBIVLZRGHYBOZ-UHFFFAOYSA-N
XLogP5.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.69
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chloro-2-methylphenoxy)-N-[4-[4-[4-(4-chloro-2-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 5198436
4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide
CID 4640199
4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide
CID 26722725
7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide
CID 39387148
4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide
CID 26580576
4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide
CID 18226308
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide
CID 113102620
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide
CID 55637724
4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 2094963
4-(4-bromophenoxy)-N-(3-chlorophenyl)butanamide
CID 7900115

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide?
The IUPAC name of N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide (CID 4174963) is N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide?
The canonical SMILES for N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide is Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide?
The InChIKey is JXBIVLZRGHYBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO2/c1-12-11-14(19)6-9-16(12)22-10-2-3-17(21)20-15-7-4-13(18)5-8-15/h4-9,11H,2-3,10H2,1H3,(H,20,21).
What are the key properties of N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide?
N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide has a molecular weight of 382.69 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide is sourced from PubChem (CID 4174963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).