5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride

C14H21Cl2N3O2 — CID 119738495

IUPAC5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1.Cl
InChIInChI=1S/C14H20ClN3O2.ClH/c1-4-7-14(2,16)13(20)18-9-5-6-11(15)10(8-9)12(19)17-3;/h5-6,8H,4,7,16H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeyKFZXYFJJJNCGDL-UHFFFAOYSA-N
MW334.25 g/mol
LogP2.58
Rot. Bonds5

About 5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride

5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride (PubChem CID 119738495) has the molecular formula C14H21Cl2N3O2 and a molecular weight of 334.25 g/mol. Its IUPAC name is 5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
PubChem CID119738495
Molecular FormulaC14H21Cl2N3O2
Molecular Weight334.25 g/mol
Exact Mass333.10
IUPAC Name5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1.Cl
InChIInChI=1S/C14H20ClN3O2.ClH/c1-4-7-14(2,16)13(20)18-9-5-6-11(15)10(8-9)12(19)17-3;/h5-6,8H,4,7,16H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeyKFZXYFJJJNCGDL-UHFFFAOYSA-N
XLogP2.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711593
5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119713294
2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride
CID 119781400
N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride
CID 119707643
2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride
CID 119790140
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
4-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide;hydrochloride
CID 119739022
5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide
CID 60928001
2-chloro-N-methyl-5-(3-oxobutanoylamino)benzamide
CID 54867174
methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
CID 60848240

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride?
The IUPAC name of 5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride (CID 119738495) is 5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride?
The canonical SMILES for 5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride is CCCC(C)(N)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1.Cl.
What is the InChIKey of 5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride?
The InChIKey is KFZXYFJJJNCGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2.ClH/c1-4-7-14(2,16)13(20)18-9-5-6-11(15)10(8-9)12(19)17-3;/h5-6,8H,4,7,16H2,1-3H3,(H,17,19)(H,18,20);1H.
What are the key properties of 5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride?
5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride has a molecular weight of 334.25 g/mol, XLogP of 2.58, 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-chloro-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119738495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).