5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide

C12H16ClN3O — CID 107196156

IUPAC5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCCC1CC1
InChIInChI=1S/C12H16ClN3O/c13-10-6-8(14)5-9(12(15)17)11(10)16-4-3-7-1-2-7/h5-7,16H,1-4,14H2,(H2,15,17)
InChIKeyDBCLPXPJLYDEGE-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.23
Rot. Bonds5

About 5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide

5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide (PubChem CID 107196156) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
PubChem CID107196156
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCCC1CC1
InChIInChI=1S/C12H16ClN3O/c13-10-6-8(14)5-9(12(15)17)11(10)16-4-3-7-1-2-7/h5-7,16H,1-4,14H2,(H2,15,17)
InChIKeyDBCLPXPJLYDEGE-UHFFFAOYSA-N
XLogP2.23
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Benzamide, 5-chloro-2-(methylamino)-
CID 97387
3-Amino-n-(4-amino-2-chlorophenyl)benzamide
CID 760024
N-butan-2-yl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 4541721
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)benzamide
CID 70913266
Benzamide, 5-chloro-N-methyl-2-(methylamino)-
CID 120519
Benzamide, 2-amino-4-chloro-N-cyclopropyl-
CID 45033
5-Chloro-N-(2-chlorophenyl)-2-(methylamino)benzene-1-carboximidic acid
CID 208613
n-(2-Chlorophenyl)-2-(methylamino)benzamide
CID 288565
2-(Allylamino)-N-(3-chlorobenzyl)benzamide
CID 71540984
8-chloro-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 172446046
2-amino-5-(3-chloro-4-fluoroanilino)-N-(2-chloro-6-methylphenyl)benzamide
CID 177656682
2-[[3-[(3-Chlorobenzoyl)amino]phenyl]methylamino]benzamide
CID 171062557

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide (CID 107196156) is 5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide is NC(=O)c1cc(N)cc(Cl)c1NCCC1CC1.
What is the InChIKey of 5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide?
The InChIKey is DBCLPXPJLYDEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-10-6-8(14)5-9(12(15)17)11(10)16-4-3-7-1-2-7/h5-7,16H,1-4,14H2,(H2,15,17).
What are the key properties of 5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide?
5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide has a molecular weight of 253.73 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide is sourced from PubChem (CID 107196156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).