4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide

C21H24ClN3O2 — CID 60572957

IUPAC4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H24ClN3O2/c1-25(20(26)15-7-9-16(22)10-8-15)19-13-11-18(12-14-19)24-21(27)23-17-5-3-2-4-6-17/h7-14,17H,2-6H2,1H3,(H2,23,24,27)
InChIKeyDVEOQEPAMIBMAJ-UHFFFAOYSA-N
MW385.90 g/mol
LogP5.07
Rot. Bonds4

About 4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide

4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide (PubChem CID 60572957) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide
PubChem CID60572957
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H24ClN3O2/c1-25(20(26)15-7-9-16(22)10-8-15)19-13-11-18(12-14-19)24-21(27)23-17-5-3-2-4-6-17/h7-14,17H,2-6H2,1H3,(H2,23,24,27)
InChIKeyDVEOQEPAMIBMAJ-UHFFFAOYSA-N
XLogP5.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.90
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60573055
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4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide
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4-(cyclooctylcarbamoylamino)benzoic acid
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1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
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CID 60577820
4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323
4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide
CID 60577488
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
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4-chloro-N-methyl-N-[4-(prop-2-enoylamino)phenyl]benzamide
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1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea
CID 3710204

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide?
The IUPAC name of 4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide (CID 60572957) is 4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide?
The InChIKey is DVEOQEPAMIBMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-25(20(26)15-7-9-16(22)10-8-15)19-13-11-18(12-14-19)24-21(27)23-17-5-3-2-4-6-17/h7-14,17H,2-6H2,1H3,(H2,23,24,27).
What are the key properties of 4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide?
4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide has a molecular weight of 385.90 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide is sourced from PubChem (CID 60572957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).