2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide

C14H16F4N2O — CID 64759606

IUPAC2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide
SMILESNC(=O)c1cc(NC2CCCC(C(F)(F)F)C2)ccc1F
InChIInChI=1S/C14H16F4N2O/c15-12-5-4-10(7-11(12)13(19)21)20-9-3-1-2-8(6-9)14(16,17)18/h4-5,7-9,20H,1-3,6H2,(H2,19,21)
InChIKeyYFUNOKCYYGINSN-UHFFFAOYSA-N
MW304.29 g/mol
LogP3.46
Rot. Bonds3

About 2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide

2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide (PubChem CID 64759606) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is 2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide
PubChem CID64759606
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide
SMILESNC(=O)c1cc(NC2CCCC(C(F)(F)F)C2)ccc1F
InChIInChI=1S/C14H16F4N2O/c15-12-5-4-10(7-11(12)13(19)21)20-9-3-1-2-8(6-9)14(16,17)18/h4-5,7-9,20H,1-3,6H2,(H2,19,21)
InChIKeyYFUNOKCYYGINSN-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-(oxepan-4-ylamino)benzamide
CID 65082139
5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide
CID 65084046
4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol
CID 64758814
6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide
CID 133333827
methyl 5-[(3-cyclopropylcyclohexyl)amino]-2-fluorobenzoate
CID 64596414
methyl 2-fluoro-5-[(3-methylcyclohexyl)amino]benzoate
CID 43715386
2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide
CID 43783999
4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 107794023
methyl 2-fluoro-5-[(3-propan-2-ylcyclohexyl)amino]benzoate
CID 107448128
N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide
CID 99625911
3-[[(R)-methylsulfinyl]methyl]-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]aniline
CID 129381498
1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine
CID 79458677

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide?
The IUPAC name of 2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide (CID 64759606) is 2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide.
What is the SMILES notation for 2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide?
The canonical SMILES for 2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide is NC(=O)c1cc(NC2CCCC(C(F)(F)F)C2)ccc1F.
What is the InChIKey of 2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide?
The InChIKey is YFUNOKCYYGINSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O/c15-12-5-4-10(7-11(12)13(19)21)20-9-3-1-2-8(6-9)14(16,17)18/h4-5,7-9,20H,1-3,6H2,(H2,19,21).
What are the key properties of 2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide?
2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide has a molecular weight of 304.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide is sourced from PubChem (CID 64759606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).