N-[(4-chlorophenyl)carbamoyl]cyclohexanecarboxamide

C14H17ClN2O2 — CID 4879100

IUPACN-[(4-chlorophenyl)carbamoyl]cyclohexanecarboxamide
SMILESO=C(NC(=O)C1CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c15-11-6-8-12(9-7-11)16-14(19)17-13(18)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,16,17,18,19)
InChIKeyUACNPDSWKWVNJU-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.57
Rot. Bonds2

About N-[(4-chlorophenyl)carbamoyl]cyclohexanecarboxamide

N-[(4-chlorophenyl)carbamoyl]cyclohexanecarboxamide (PubChem CID 4879100) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)carbamoyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)carbamoyl]cyclohexanecarboxamide
PubChem CID4879100
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-[(4-chlorophenyl)carbamoyl]cyclohexanecarboxamide
SMILESO=C(NC(=O)C1CCCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c15-11-6-8-12(9-7-11)16-14(19)17-13(18)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,16,17,18,19)
InChIKeyUACNPDSWKWVNJU-UHFFFAOYSA-N
XLogP3.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)carbamoyl]cyclohexanecarboxamide?
The IUPAC name of N-[(4-chlorophenyl)carbamoyl]cyclohexanecarboxamide (CID 4879100) is N-[(4-chlorophenyl)carbamoyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)carbamoyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(4-chlorophenyl)carbamoyl]cyclohexanecarboxamide is O=C(NC(=O)C1CCCCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)carbamoyl]cyclohexanecarboxamide?
The InChIKey is UACNPDSWKWVNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-11-6-8-12(9-7-11)16-14(19)17-13(18)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,16,17,18,19).
What are the key properties of N-[(4-chlorophenyl)carbamoyl]cyclohexanecarboxamide?
N-[(4-chlorophenyl)carbamoyl]cyclohexanecarboxamide has a molecular weight of 280.75 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)carbamoyl]cyclohexanecarboxamide is sourced from PubChem (CID 4879100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).