N-cyclohexyl-N-phenylcarbamoyl chloride

C13H16ClNO — CID 18329458

IUPACN-cyclohexyl-N-phenylcarbamoyl chloride
SMILESO=C(Cl)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C13H16ClNO/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyGCLMSHIGZDHMJD-UHFFFAOYSA-N
MW237.73 g/mol
LogP4.18
Rot. Bonds2

About N-cyclohexyl-N-phenylcarbamoyl chloride

N-cyclohexyl-N-phenylcarbamoyl chloride (PubChem CID 18329458) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is N-cyclohexyl-N-phenylcarbamoyl chloride.

Molecular Properties

Compound NameN-cyclohexyl-N-phenylcarbamoyl chloride
PubChem CID18329458
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC NameN-cyclohexyl-N-phenylcarbamoyl chloride
SMILESO=C(Cl)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C13H16ClNO/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyGCLMSHIGZDHMJD-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 97357253
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N-cyclohexyl-N-phenyl-2-piperidin-4-ylacetamide
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chloro N-cyclopropyl-N-phenylcarbamate
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[2-(N-cyclohexylanilino)-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
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N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide
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2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide
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[2-(N-cyclohexylanilino)-2-oxoethyl] 3,4-dichlorobenzoate
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CID 22251074

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-phenylcarbamoyl chloride?
The IUPAC name of N-cyclohexyl-N-phenylcarbamoyl chloride (CID 18329458) is N-cyclohexyl-N-phenylcarbamoyl chloride.
What is the SMILES notation for N-cyclohexyl-N-phenylcarbamoyl chloride?
The canonical SMILES for N-cyclohexyl-N-phenylcarbamoyl chloride is O=C(Cl)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-phenylcarbamoyl chloride?
The InChIKey is GCLMSHIGZDHMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2.
What are the key properties of N-cyclohexyl-N-phenylcarbamoyl chloride?
N-cyclohexyl-N-phenylcarbamoyl chloride has a molecular weight of 237.73 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-phenylcarbamoyl chloride is sourced from PubChem (CID 18329458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).