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

C14H16F4N2O — CID 107794023

IUPAC4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide
SMILESNc1ccc(C(=O)NC2CCCC(C(F)(F)F)C2)c(F)c1
InChIInChI=1S/C14H16F4N2O/c15-12-7-9(19)4-5-11(12)13(21)20-10-3-1-2-8(6-10)14(16,17)18/h4-5,7-8,10H,1-3,6,19H2,(H,20,21)
InChIKeyUBJBQWMECSWDHJ-UHFFFAOYSA-N
MW304.29 g/mol
LogP3.26
Rot. Bonds2

About 4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide

4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 107794023) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID107794023
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide
SMILESNc1ccc(C(=O)NC2CCCC(C(F)(F)F)C2)c(F)c1
InChIInChI=1S/C14H16F4N2O/c15-12-7-9(19)4-5-11(12)13(21)20-10-3-1-2-8(6-10)14(16,17)18/h4-5,7-8,10H,1-3,6,19H2,(H,20,21)
InChIKeyUBJBQWMECSWDHJ-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 115297157
4-amino-N-(1,1-dioxothian-3-yl)-2-fluorobenzamide
CID 63924658
4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 174879133
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833
5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide
CID 64748209
2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide
CID 25475206
4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide
CID 99783439
2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide
CID 64759606
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 97185005

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide (CID 107794023) is 4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide is Nc1ccc(C(=O)NC2CCCC(C(F)(F)F)C2)c(F)c1.
What is the InChIKey of 4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is UBJBQWMECSWDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O/c15-12-7-9(19)4-5-11(12)13(21)20-10-3-1-2-8(6-10)14(16,17)18/h4-5,7-8,10H,1-3,6,19H2,(H,20,21).
What are the key properties of 4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide?
4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 304.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 107794023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).