4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide

C14H17ClN2O2 — CID 16640624

IUPAC4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
SMILESO=C(CCl)Nc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C14H17ClN2O2/c15-9-13(18)16-12-7-5-10(6-8-12)14(19)17-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,16,18)(H,17,19)
InChIKeyINHMORNABGFORD-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.54
Rot. Bonds4

About 4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide

4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide (PubChem CID 16640624) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
PubChem CID16640624
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
SMILESO=C(CCl)Nc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C14H17ClN2O2/c15-9-13(18)16-12-7-5-10(6-8-12)14(19)17-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,16,18)(H,17,19)
InChIKeyINHMORNABGFORD-UHFFFAOYSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 977209
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4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide
CID 63309347
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-benzamido-N-cyclopentylbenzamide
CID 1262350
N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide
CID 54813756
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759
N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119747154
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
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N-cyclohexyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 28587702

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide?
The IUPAC name of 4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide (CID 16640624) is 4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide.
What is the SMILES notation for 4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide?
The canonical SMILES for 4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide is O=C(CCl)Nc1ccc(C(=O)NC2CCCC2)cc1.
What is the InChIKey of 4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide?
The InChIKey is INHMORNABGFORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-9-13(18)16-12-7-5-10(6-8-12)14(19)17-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,16,18)(H,17,19).
What are the key properties of 4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide?
4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide has a molecular weight of 280.76 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide is sourced from PubChem (CID 16640624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).