N-(4-chlorophenyl)-N-cyclohexylformamide

C13H16ClNO — CID 87623148

IUPACN-(4-chlorophenyl)-N-cyclohexylformamide
SMILESO=CN(c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C13H16ClNO/c14-11-6-8-13(9-7-11)15(10-16)12-4-2-1-3-5-12/h6-10,12H,1-5H2
InChIKeyIRYBBZCRQBXIEC-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.64
Rot. Bonds3

About N-(4-chlorophenyl)-N-cyclohexylformamide

N-(4-chlorophenyl)-N-cyclohexylformamide (PubChem CID 87623148) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-cyclohexylformamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-cyclohexylformamide
PubChem CID87623148
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC NameN-(4-chlorophenyl)-N-cyclohexylformamide
SMILESO=CN(c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C13H16ClNO/c14-11-6-8-13(9-7-11)15(10-16)12-4-2-1-3-5-12/h6-10,12H,1-5H2
InChIKeyIRYBBZCRQBXIEC-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-cyclohexylformamide?
The IUPAC name of N-(4-chlorophenyl)-N-cyclohexylformamide (CID 87623148) is N-(4-chlorophenyl)-N-cyclohexylformamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-cyclohexylformamide?
The canonical SMILES for N-(4-chlorophenyl)-N-cyclohexylformamide is O=CN(c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of N-(4-chlorophenyl)-N-cyclohexylformamide?
The InChIKey is IRYBBZCRQBXIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-11-6-8-13(9-7-11)15(10-16)12-4-2-1-3-5-12/h6-10,12H,1-5H2.
What are the key properties of N-(4-chlorophenyl)-N-cyclohexylformamide?
N-(4-chlorophenyl)-N-cyclohexylformamide has a molecular weight of 237.73 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-cyclohexylformamide is sourced from PubChem (CID 87623148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).