2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide

C20H22ClN3O2 — CID 17188425

IUPAC2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H22ClN3O2/c21-18-12-11-16(24-20(26)23-15-9-5-2-6-10-15)13-17(18)19(25)22-14-7-3-1-4-8-14/h2,5-6,9-14H,1,3-4,7-8H2,(H,22,25)(H2,23,24,26)
InChIKeyJXAMRWPFVVGLKQ-UHFFFAOYSA-N
MW371.87 g/mol
LogP5.05
Rot. Bonds4

About 2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide

2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide (PubChem CID 17188425) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
PubChem CID17188425
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H22ClN3O2/c21-18-12-11-16(24-20(26)23-15-9-5-2-6-10-15)13-17(18)19(25)22-14-7-3-1-4-8-14/h2,5-6,9-14H,1,3-4,7-8H2,(H,22,25)(H2,23,24,26)
InChIKeyJXAMRWPFVVGLKQ-UHFFFAOYSA-N
XLogP5.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide
CID 52707482
2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975390
2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
CID 60540414
2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17188518
5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833038
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 17188486
2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812588
2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 54818353
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119300196
2-chloro-N-cyclohexyl-5-(3-phenylpropanoylcarbamothioylamino)benzamide
CID 17188686

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide (CID 17188425) is 2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide is O=C(Nc1ccccc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide?
The InChIKey is JXAMRWPFVVGLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-18-12-11-16(24-20(26)23-15-9-5-2-6-10-15)13-17(18)19(25)22-14-7-3-1-4-8-14/h2,5-6,9-14H,1,3-4,7-8H2,(H,22,25)(H2,23,24,26).
What are the key properties of 2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide?
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide has a molecular weight of 371.87 g/mol, XLogP of 5.05, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 17188425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).