N-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C16H18F4N2O2 — CID 87002288

IUPACN-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2CCCCC2C(F)(F)F)ccc1F
InChIInChI=1S/C16H18F4N2O2/c1-9(23)21-14-8-10(6-7-13(14)17)22-15(24)11-4-2-3-5-12(11)16(18,19)20/h6-8,11-12H,2-5H2,1H3,(H,21,23)(H,22,24)
InChIKeyBVWSPDMSORIEKM-UHFFFAOYSA-N
MW346.32 g/mol
LogP4.09
Rot. Bonds3

About N-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 87002288) has the molecular formula C16H18F4N2O2 and a molecular weight of 346.32 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID87002288
Molecular FormulaC16H18F4N2O2
Molecular Weight346.32 g/mol
Exact Mass346.13
IUPAC NameN-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2CCCCC2C(F)(F)F)ccc1F
InChIInChI=1S/C16H18F4N2O2/c1-9(23)21-14-8-10(6-7-13(14)17)22-15(24)11-4-2-3-5-12(11)16(18,19)20/h6-8,11-12H,2-5H2,1H3,(H,21,23)(H,22,24)
InChIKeyBVWSPDMSORIEKM-UHFFFAOYSA-N
XLogP4.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide
CID 64822591
N-(4-bromo-3-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583700
N-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107620593
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-(3-acetamido-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119278283
2-chloro-4-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]benzoic acid
CID 119178941
cis-(1S,2R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 94639479
trans-[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] (1R,2R)-2-(trifluoromethyl)cyclohexane-1-carboxylate
CID 94402595
N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide
CID 62069998
N-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583698
N-[3-(methylaminomethyl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119441053

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 87002288) is N-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is CC(=O)Nc1cc(NC(=O)C2CCCCC2C(F)(F)F)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is BVWSPDMSORIEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N2O2/c1-9(23)21-14-8-10(6-7-13(14)17)22-15(24)11-4-2-3-5-12(11)16(18,19)20/h6-8,11-12H,2-5H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 346.32 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 87002288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).