(1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide

C14H16ClNO — CID 8780243

IUPAC(1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C14H16ClNO/c1-10-9-12(15)7-8-13(10)16-14(17)11-5-3-2-4-6-11/h2-3,7-9,11H,4-6H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyULRQYUMJVYJAPW-NSHDSACASA-N
MW249.74 g/mol
LogP3.94
Rot. Bonds2

About (1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide

(1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 8780243) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is (1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
PubChem CID8780243
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name(1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C14H16ClNO/c1-10-9-12(15)7-8-13(10)16-14(17)11-5-3-2-4-6-11/h2-3,7-9,11H,4-6H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyULRQYUMJVYJAPW-NSHDSACASA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide
CID 42907468
(1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8865468
[2-(4-chloro-2-methylanilino)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932109
N-(2-bromo-5-chlorophenyl)cyclohex-3-ene-1-carboxamide
CID 81272331
methyl 4-(cyclohex-3-ene-1-carbonylamino)-3-methylbenzoate
CID 42941653
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787
N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682146
N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738674
4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144375
(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 51550537
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 109150231
(1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 51474501

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide (CID 8780243) is (1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide is Cc1cc(Cl)ccc1NC(=O)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is ULRQYUMJVYJAPW-NSHDSACASA-N. The full InChI is InChI=1S/C14H16ClNO/c1-10-9-12(15)7-8-13(10)16-14(17)11-5-3-2-4-6-11/h2-3,7-9,11H,4-6H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide?
(1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 249.74 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 8780243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).