N-(3-chlorophenyl)cyclohexanecarboxamide

C13H16ClNO — CID 531819

IUPACN-(3-chlorophenyl)cyclohexanecarboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C13H16ClNO/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,15,16)
InChIKeyWGUWTOYIQWKLDD-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.86
Rot. Bonds2

About N-(3-chlorophenyl)cyclohexanecarboxamide

N-(3-chlorophenyl)cyclohexanecarboxamide (PubChem CID 531819) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)cyclohexanecarboxamide
PubChem CID531819
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC NameN-(3-chlorophenyl)cyclohexanecarboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCCCC1
InChIInChI=1S/C13H16ClNO/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,15,16)
InChIKeyWGUWTOYIQWKLDD-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 23537
N-(3-Chlorophenyl)acetamide
CID 11493
Monalide
CID 23715
Pentanochlor
CID 16826
Benzamide, N-(3,4-dichlorophenyl)-
CID 82516
Benzamide, N-(4-chlorophenyl)-
CID 96646
N-(3-Chlorophenyl)benzamide
CID 95833
N-(2-Chlorophenyl)benzamide
CID 13918
3'-Chloro-M-toluanilide
CID 531963
3',4'-Dichlorocyclohexanecarboxanilide
CID 140002
N1-phenyl-3-(2-chlorophenyl)acrylamide
CID 737170
N-(3,5-dichlorophenyl)cyclopentanecarboxamide
CID 2166648

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)cyclohexanecarboxamide?
The IUPAC name of N-(3-chlorophenyl)cyclohexanecarboxamide (CID 531819) is N-(3-chlorophenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-chlorophenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(3-chlorophenyl)cyclohexanecarboxamide is O=C(Nc1cccc(Cl)c1)C1CCCCC1.
What is the InChIKey of N-(3-chlorophenyl)cyclohexanecarboxamide?
The InChIKey is WGUWTOYIQWKLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-11-7-4-8-12(9-11)15-13(16)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,15,16).
What are the key properties of N-(3-chlorophenyl)cyclohexanecarboxamide?
N-(3-chlorophenyl)cyclohexanecarboxamide has a molecular weight of 237.73 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)cyclohexanecarboxamide is sourced from PubChem (CID 531819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).