4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide

C21H26ClN3O2 — CID 119950281

IUPAC4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1Cl
InChIInChI=1S/C21H26ClN3O2/c1-4-21(2,3)25-20(27)16-11-10-15(12-17(16)22)24-19(26)13-18(23)14-8-6-5-7-9-14/h5-12,18H,4,13,23H2,1-3H3,(H,24,26)(H,25,27)
InChIKeySWRSDUMQYBMJOD-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.29
Rot. Bonds7

About 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide

4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide (PubChem CID 119950281) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide
PubChem CID119950281
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1Cl
InChIInChI=1S/C21H26ClN3O2/c1-4-21(2,3)25-20(27)16-11-10-15(12-17(16)22)24-19(26)13-18(23)14-8-6-5-7-9-14/h5-12,18H,4,13,23H2,1-3H3,(H,24,26)(H,25,27)
InChIKeySWRSDUMQYBMJOD-UHFFFAOYSA-N
XLogP4.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide 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-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119950265
3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 43105358
4-[(3-aminobenzoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide;hydrochloride
CID 119738309
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675
2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 60539073
4-(3-aminobutanoylamino)-2-chlorobenzoic acid
CID 61399027
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 119949567
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 60539228
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119949566
3-amino-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 43123771
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 60539304
N-[3-chloro-4-(2-methylbutan-2-ylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624220

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide (CID 119950281) is 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1Cl.
What is the InChIKey of 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is SWRSDUMQYBMJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-4-21(2,3)25-20(27)16-11-10-15(12-17(16)22)24-19(26)13-18(23)14-8-6-5-7-9-14/h5-12,18H,4,13,23H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide?
4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 387.91 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 119950281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).