1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide

C21H21F4NO — CID 18449573

IUPAC1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)C1(c2ccccc2F)CCCCC1
InChIInChI=1S/C21H21F4NO/c22-18-10-3-2-9-17(18)20(11-4-1-5-12-20)19(27)26-14-15-7-6-8-16(13-15)21(23,24)25/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,26,27)
InChIKeyKLJFQFBJQDTTIS-UHFFFAOYSA-N
MW379.40 g/mol
LogP5.36
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide

1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 18449573) has the molecular formula C21H21F4NO and a molecular weight of 379.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID18449573
Molecular FormulaC21H21F4NO
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)C1(c2ccccc2F)CCCCC1
InChIInChI=1S/C21H21F4NO/c22-18-10-3-2-9-17(18)20(11-4-1-5-12-20)19(27)26-14-15-7-6-8-16(13-15)21(23,24)25/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,26,27)
InChIKeyKLJFQFBJQDTTIS-UHFFFAOYSA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.40
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119266145
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
1-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110438283
N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide
CID 33205383
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
1-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 110438309
N-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 51123307
4-(aminomethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120918176
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 119169544
(E)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 26241538

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide (CID 18449573) is 1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)C1(c2ccccc2F)CCCCC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is KLJFQFBJQDTTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F4NO/c22-18-10-3-2-9-17(18)20(11-4-1-5-12-20)19(27)26-14-15-7-6-8-16(13-15)21(23,24)25/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,26,27).
What are the key properties of 1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide?
1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 18449573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).