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

C16H23Cl2N3O2 — CID 119713294

IUPAC5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-3-8-16(2,18)15(22)20-11-6-7-13(17)12(9-11)14(21)19-10-4-5-10;/h6-7,9-10H,3-5,8,18H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyXPXYWHHEFNGUBY-UHFFFAOYSA-N
MW360.29 g/mol
LogP3.11
Rot. Bonds6

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

5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride (PubChem CID 119713294) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
PubChem CID119713294
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-3-8-16(2,18)15(22)20-11-6-7-13(17)12(9-11)14(21)19-10-4-5-10;/h6-7,9-10H,3-5,8,18H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyXPXYWHHEFNGUBY-UHFFFAOYSA-N
XLogP3.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 53.11
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
5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711593
2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride
CID 119781400
5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119283832
2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119390511
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-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride
CID 119715576
2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
CID 119386824
2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
CID 17188521
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride?
The IUPAC name of 5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride (CID 119713294) is 5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride.
What is the SMILES notation for 5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride?
The canonical SMILES for 5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride is CCCC(C)(N)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1.Cl.
What is the InChIKey of 5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride?
The InChIKey is XPXYWHHEFNGUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2.ClH/c1-3-8-16(2,18)15(22)20-11-6-7-13(17)12(9-11)14(21)19-10-4-5-10;/h6-7,9-10H,3-5,8,18H2,1-2H3,(H,19,21)(H,20,22);1H.
What are the key properties of 5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride?
5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride has a molecular weight of 360.29 g/mol, XLogP of 3.11, 6 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-cyclopropylbenzamide;hydrochloride is sourced from PubChem (CID 119713294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).