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

C14H10F4N2O — CID 62679068

IUPAC4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1F
InChIInChI=1S/C14H10F4N2O/c15-10-7-8(5-6-11(10)19)13(21)20-12-4-2-1-3-9(12)14(16,17)18/h1-7H,19H2,(H,20,21)
InChIKeyNQDINXMYDRRKRQ-UHFFFAOYSA-N
MW298.24 g/mol
LogP3.68
Rot. Bonds2

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

4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 62679068) has the molecular formula C14H10F4N2O and a molecular weight of 298.24 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID62679068
Molecular FormulaC14H10F4N2O
Molecular Weight298.24 g/mol
Exact Mass298.07
IUPAC Name4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1F
InChIInChI=1S/C14H10F4N2O/c15-10-7-8(5-6-11(10)19)13(21)20-12-4-2-1-3-9(12)14(16,17)18/h1-7H,19H2,(H,20,21)
InChIKeyNQDINXMYDRRKRQ-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 53.68
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

4-amino-3-fluoro-N-(2-methylphenyl)benzamide
CID 55102680
3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide
CID 61091393
4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
CID 63189025
4-hydroxy-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 107676526
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
2-amino-5-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62511382
1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109054164
[4-[[2-(trifluoromethyl)phenyl]carbamoyl]phenyl]boronic acid
CID 44717648
4-[(4-amino-3-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 63188517
3-[(4-amino-3-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63188108
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
2,4-difluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8896585

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide (CID 62679068) is 4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide is Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NQDINXMYDRRKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O/c15-10-7-8(5-6-11(10)19)13(21)20-12-4-2-1-3-9(12)14(16,17)18/h1-7H,19H2,(H,20,21).
What are the key properties of 4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide?
4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 298.24 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 62679068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).