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

C20H28ClN3O2 — CID 17188470

IUPAC2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)NC1CCCCC1
InChIInChI=1S/C20H28ClN3O2/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/h11-15H,1-10H2,(H,22,25)(H2,23,24,26)
InChIKeySBWMEBIRWWDFKB-UHFFFAOYSA-N
MW377.92 g/mol
LogP4.86
Rot. Bonds4

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

2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide (PubChem CID 17188470) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
PubChem CID17188470
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC Name2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)NC1CCCCC1
InChIInChI=1S/C20H28ClN3O2/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/h11-15H,1-10H2,(H,22,25)(H2,23,24,26)
InChIKeySBWMEBIRWWDFKB-UHFFFAOYSA-N
XLogP4.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
1-(3-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16776834
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975390
2-chloro-N-cyclohexyl-5-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54815159
2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide
CID 17188414
2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114
2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
CID 17188521
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17188463
2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 54818353

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide (CID 17188470) is 2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide is O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)NC1CCCCC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide?
The InChIKey is SBWMEBIRWWDFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2/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/h11-15H,1-10H2,(H,22,25)(H2,23,24,26).
What are the key properties of 2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide?
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide has a molecular weight of 377.92 g/mol, XLogP of 4.86, 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-(cyclohexylcarbamoylamino)benzamide is sourced from PubChem (CID 17188470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).