(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide

C14H16ClNO — CID 9401002

IUPAC(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@H]1CC=CCC1
InChIInChI=1S/C14H16ClNO/c15-13-9-5-4-8-12(13)10-16-14(17)11-6-2-1-3-7-11/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,16,17)/t11-/m0/s1
InChIKeyAITGPMIDICNSKJ-NSHDSACASA-N
MW249.74 g/mol
LogP3.31
Rot. Bonds3

About (1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 9401002) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is (1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID9401002
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@H]1CC=CCC1
InChIInChI=1S/C14H16ClNO/c15-13-9-5-4-8-12(13)10-16-14(17)11-6-2-1-3-7-11/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,16,17)/t11-/m0/s1
InChIKeyAITGPMIDICNSKJ-NSHDSACASA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
(1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 32601690
(1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 31644447
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[(2-chlorophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 44586596
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 42944706
(1S)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 99845328
(1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 35511492
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 42943354
(1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 39911564

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide (CID 9401002) is (1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide is O=C(NCc1ccccc1Cl)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is AITGPMIDICNSKJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H16ClNO/c15-13-9-5-4-8-12(13)10-16-14(17)11-6-2-1-3-7-11/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,16,17)/t11-/m0/s1.
What are the key properties of (1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 249.74 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 9401002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).