4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride

C19H24ClN3O2 — CID 119756450

IUPAC4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-3-13(2)17(20)19(24)22-16-11-9-14(10-12-16)18(23)21-15-7-5-4-6-8-15;/h4-13,17H,3,20H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyFZFVKNYPDITZRZ-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.67
Rot. Bonds6

About 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride

4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride (PubChem CID 119756450) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride
PubChem CID119756450
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-3-13(2)17(20)19(24)22-16-11-9-14(10-12-16)18(23)21-15-7-5-4-6-8-15;/h4-13,17H,3,20H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyFZFVKNYPDITZRZ-UHFFFAOYSA-N
XLogP3.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide
CID 61174601
methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride
CID 119740914
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
CID 119756457
4-[(2-amino-3-methylpentanoyl)amino]-N-cyclohexylbenzamide;hydrochloride
CID 119747187
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]benzoic acid
CID 61156933

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride?
The IUPAC name of 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride (CID 119756450) is 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride?
The canonical SMILES for 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride is CCC(C)C(N)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1.Cl.
What is the InChIKey of 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride?
The InChIKey is FZFVKNYPDITZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-3-13(2)17(20)19(24)22-16-11-9-14(10-12-16)18(23)21-15-7-5-4-6-8-15;/h4-13,17H,3,20H2,1-2H3,(H,21,23)(H,22,24);1H.
What are the key properties of 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride?
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride is sourced from PubChem (CID 119756450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).