3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide

C17H23ClN2O2 — CID 17170672

IUPAC3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide
SMILESO=C(CCCCl)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H23ClN2O2/c18-11-5-10-16(21)19-15-9-4-6-13(12-15)17(22)20-14-7-2-1-3-8-14/h4,6,9,12,14H,1-3,5,7-8,10-11H2,(H,19,21)(H,20,22)
InChIKeyGNIDXOHQZFOMDN-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.71
Rot. Bonds6

About 3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide

3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide (PubChem CID 17170672) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide
PubChem CID17170672
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide
SMILESO=C(CCCCl)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H23ClN2O2/c18-11-5-10-16(21)19-15-9-4-6-13(12-15)17(22)20-14-7-2-1-3-8-14/h4,6,9,12,14H,1-3,5,7-8,10-11H2,(H,19,21)(H,20,22)
InChIKeyGNIDXOHQZFOMDN-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.71
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[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
N-cyclopropyl-3-(5-hydroxypentanoylamino)benzamide
CID 79199370
3-[6-(cyclohexylcarbamoylamino)hexanoylamino]benzoic acid
CID 119219607
3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide
CID 54795525
4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide
CID 63309347
3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 54795813
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide
CID 54817859
N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
CID 43878588
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831098
N-cyclohexyl-3-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide
CID 54816369
3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 139348505

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide?
The IUPAC name of 3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide (CID 17170672) is 3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide.
What is the SMILES notation for 3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide?
The canonical SMILES for 3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide is O=C(CCCCl)Nc1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide?
The InChIKey is GNIDXOHQZFOMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-11-5-10-16(21)19-15-9-4-6-13(12-15)17(22)20-14-7-2-1-3-8-14/h4,6,9,12,14H,1-3,5,7-8,10-11H2,(H,19,21)(H,20,22).
What are the key properties of 3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide?
3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide has a molecular weight of 322.84 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide is sourced from PubChem (CID 17170672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).