4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide

C14H17ClN2O2 — CID 63309347

IUPAC4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide
SMILESO=C(CCCCl)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C14H17ClN2O2/c15-9-1-2-13(18)16-11-5-3-10(4-6-11)14(19)17-12-7-8-12/h3-6,12H,1-2,7-9H2,(H,16,18)(H,17,19)
InChIKeyZWGNAJYHRGOTLI-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.54
Rot. Bonds6

About 4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide

4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide (PubChem CID 63309347) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide
PubChem CID63309347
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide
SMILESO=C(CCCCl)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C14H17ClN2O2/c15-9-1-2-13(18)16-11-5-3-10(4-6-11)14(19)17-12-7-8-12/h3-6,12H,1-2,7-9H2,(H,16,18)(H,17,19)
InChIKeyZWGNAJYHRGOTLI-UHFFFAOYSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
CID 43878588
4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
CID 16640624
N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119747154
3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide
CID 17170672
N-cyclopropyl-4-(4-naphthalen-1-yloxybutanoylamino)benzamide
CID 55706628
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
N-cyclopropyl-4-[(4-naphthalen-2-yl-4-oxobutanoyl)amino]benzamide
CID 43053059
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride
CID 120608448
4-chloro-N-cyclopropylbutanamide
CID 5152347
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide?
The IUPAC name of 4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide (CID 63309347) is 4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide.
What is the SMILES notation for 4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide?
The canonical SMILES for 4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide is O=C(CCCCl)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of 4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide?
The InChIKey is ZWGNAJYHRGOTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-9-1-2-13(18)16-11-5-3-10(4-6-11)14(19)17-12-7-8-12/h3-6,12H,1-2,7-9H2,(H,16,18)(H,17,19).
What are the key properties of 4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide?
4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide has a molecular weight of 280.76 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide is sourced from PubChem (CID 63309347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).