2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide

C15H19ClN2O2 — CID 50875940

IUPAC2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCC2)c1
InChIInChI=1S/C15H19ClN2O2/c1-2-14(19)17-11-7-8-13(16)12(9-11)15(20)18-10-5-3-4-6-10/h7-10H,2-6H2,1H3,(H,17,19)(H,18,20)
InChIKeyWPQHNCBVUPKNGB-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.36
Rot. Bonds4

About 2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide

2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide (PubChem CID 50875940) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
PubChem CID50875940
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCC2)c1
InChIInChI=1S/C15H19ClN2O2/c1-2-14(19)17-11-7-8-13(16)12(9-11)15(20)18-10-5-3-4-6-10/h7-10H,2-6H2,1H3,(H,17,19)(H,18,20)
InChIKeyWPQHNCBVUPKNGB-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-cyclohexyl-5-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833292
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54833099
2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
CID 17188521
2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2-chloro-N-cyclohexyl-5-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54815159
5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119283832
N-[4-chloro-3-(cyclopentylamino)phenyl]propanamide
CID 43679054
2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 54818353
2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17188384
2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819816
2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
CID 60540414

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide?
The IUPAC name of 2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide (CID 50875940) is 2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide is CCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide?
The InChIKey is WPQHNCBVUPKNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-2-14(19)17-11-7-8-13(16)12(9-11)15(20)18-10-5-3-4-6-10/h7-10H,2-6H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide?
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide has a molecular weight of 294.78 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide is sourced from PubChem (CID 50875940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).