2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide

C19H22ClNO2 — CID 132651550

IUPAC2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-2-18(23-17-12-10-16(20)11-13-17)19(22)21-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13,18H,2,6,9,14H2,1H3,(H,21,22)
InChIKeyJFGBFFMCQNSOPQ-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.25
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide

2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide (PubChem CID 132651550) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide
PubChem CID132651550
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1
InChIInChI=1S/C19H22ClNO2/c1-2-18(23-17-12-10-16(20)11-13-17)19(22)21-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13,18H,2,6,9,14H2,1H3,(H,21,22)
InChIKeyJFGBFFMCQNSOPQ-UHFFFAOYSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenoxy)-N-(3-phenylpropyl)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

(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
2-(3,4-dimethylphenoxy)-N-(3-phenylpropyl)butanamide
CID 43905383
2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide
CID 132762013
(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 94016511
2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659526
2-(4-chlorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide
CID 53285212
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 43909206
(2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 93487712
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 132653897

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide (CID 132651550) is 2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide is CCC(Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide?
The InChIKey is JFGBFFMCQNSOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-2-18(23-17-12-10-16(20)11-13-17)19(22)21-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13,18H,2,6,9,14H2,1H3,(H,21,22).
What are the key properties of 2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide?
2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide has a molecular weight of 331.84 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide is sourced from PubChem (CID 132651550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).