5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride

C13H19Cl2N3O2 — CID 119711593

IUPAC5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(Cl)c(C(N)=O)c1.Cl
InChIInChI=1S/C13H18ClN3O2.ClH/c1-3-6-13(2,16)12(19)17-8-4-5-10(14)9(7-8)11(15)18;/h4-5,7H,3,6,16H2,1-2H3,(H2,15,18)(H,17,19);1H
InChIKeyDQTXRFOSPWTMPF-UHFFFAOYSA-N
MW320.22 g/mol
LogP2.32
Rot. Bonds5

About 5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride

5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride (PubChem CID 119711593) has the molecular formula C13H19Cl2N3O2 and a molecular weight of 320.22 g/mol. Its IUPAC name is 5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride.

Molecular Properties

Compound Name5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride
PubChem CID119711593
Molecular FormulaC13H19Cl2N3O2
Molecular Weight320.22 g/mol
Exact Mass319.09
IUPAC Name5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(Cl)c(C(N)=O)c1.Cl
InChIInChI=1S/C13H18ClN3O2.ClH/c1-3-6-13(2,16)12(19)17-8-4-5-10(14)9(7-8)11(15)18;/h4-5,7H,3,6,16H2,1-2H3,(H2,15,18)(H,17,19);1H
InChIKeyDQTXRFOSPWTMPF-UHFFFAOYSA-N
XLogP2.32
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
CID 119738495
2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride
CID 119781400
5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119713294
2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride
CID 119790140
N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride
CID 119707643
2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride
CID 119715576
2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
CID 119735835
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660
methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
CID 60848240
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylpentanamide
CID 60848779
2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide
CID 113357367

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride?
The IUPAC name of 5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride (CID 119711593) is 5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride.
What is the SMILES notation for 5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride?
The canonical SMILES for 5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride is CCCC(C)(N)C(=O)Nc1ccc(Cl)c(C(N)=O)c1.Cl.
What is the InChIKey of 5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride?
The InChIKey is DQTXRFOSPWTMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2.ClH/c1-3-6-13(2,16)12(19)17-8-4-5-10(14)9(7-8)11(15)18;/h4-5,7H,3,6,16H2,1-2H3,(H2,15,18)(H,17,19);1H.
What are the key properties of 5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride?
5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride has a molecular weight of 320.22 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride is sourced from PubChem (CID 119711593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).