(1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide

C14H16FNO — CID 8865468

IUPAC(1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
SMILESCc1cc(F)ccc1NC(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C14H16FNO/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-/m1/s1
InChIKeyLIZDUBXAXVRQKI-LLVKDONJSA-N
MW233.29 g/mol
LogP3.43
Rot. Bonds2

About (1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide

(1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 8865468) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is (1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
PubChem CID8865468
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name(1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
SMILESCc1cc(F)ccc1NC(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C14H16FNO/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-/m1/s1
InChIKeyLIZDUBXAXVRQKI-LLVKDONJSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.43
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
(1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8780243
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
methyl 4-(cyclohex-3-ene-1-carbonylamino)-3-methylbenzoate
CID 42941653
N-(5-fluoro-2-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
CID 61130912
(1S,5R)-N-(4-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 8863813
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787
trans-(1R,2R)-2-[(4-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7472991
(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 51550537
(1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 51474501
(1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 51469355
3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 94007148

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide (CID 8865468) is (1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide is Cc1cc(F)ccc1NC(=O)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is LIZDUBXAXVRQKI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16FNO/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-/m1/s1.
What are the key properties of (1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide?
(1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 233.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 8865468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).