N-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide

C26H27ClN2O3 — CID 60540296

IUPACN-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
SMILESCCCCOc1ccccc1NC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C26H27ClN2O3/c1-2-3-17-32-24-16-10-9-15-22(24)28-25(30)18-23(19-11-5-4-6-12-19)29-26(31)20-13-7-8-14-21(20)27/h4-16,23H,2-3,17-18H2,1H3,(H,28,30)(H,29,31)
InChIKeyADYVDVPNUURUTM-UHFFFAOYSA-N
MW450.97 g/mol
LogP6.02
Rot. Bonds10

About N-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide

N-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide (PubChem CID 60540296) has the molecular formula C26H27ClN2O3 and a molecular weight of 450.97 g/mol. Its IUPAC name is N-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
PubChem CID60540296
Molecular FormulaC26H27ClN2O3
Molecular Weight450.97 g/mol
Exact Mass450.17
IUPAC NameN-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
SMILESCCCCOc1ccccc1NC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C26H27ClN2O3/c1-2-3-17-32-24-16-10-9-15-22(24)28-25(30)18-23(19-11-5-4-6-12-19)29-26(31)20-13-7-8-14-21(20)27/h4-16,23H,2-3,17-18H2,1H3,(H,28,30)(H,29,31)
InChIKeyADYVDVPNUURUTM-UHFFFAOYSA-N
XLogP6.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.97
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide 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

2-chloro-N-[3-[2-(2-methylphenoxy)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 55907565
2-chloro-N-[3-(5-fluoro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 46797658
N-(2-butoxyphenyl)-3-methylbutanamide
CID 19204184
N-(2-butoxyphenyl)propanamide
CID 15943029
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 25332382
N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 4806734
2-chloro-N-[(1R)-3-oxo-1-phenyl-3-(4-phenylmethoxyanilino)propyl]benzamide
CID 2087143
2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119429690
(2S)-2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166239591
[2-(butylcarbamoylamino)-2-oxoethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 55418410
2-chloro-N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119429689
2-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134034

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide?
The IUPAC name of N-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide (CID 60540296) is N-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide.
What is the SMILES notation for N-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide?
The canonical SMILES for N-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide is CCCCOc1ccccc1NC(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide?
The InChIKey is ADYVDVPNUURUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O3/c1-2-3-17-32-24-16-10-9-15-22(24)28-25(30)18-23(19-11-5-4-6-12-19)29-26(31)20-13-7-8-14-21(20)27/h4-16,23H,2-3,17-18H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide?
N-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide has a molecular weight of 450.97 g/mol, XLogP of 6.02, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-butoxyanilino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide is sourced from PubChem (CID 60540296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).