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

C14H11F3N2O — CID 16775395

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]benzamide
SMILESNc1cc(C(F)(F)F)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)10-6-7-12(11(18)8-10)19-13(20)9-4-2-1-3-5-9/h1-8H,18H2,(H,19,20)
InChIKeyZNSOICXKRNAIRD-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.54
Rot. Bonds2

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

N-[2-amino-4-(trifluoromethyl)phenyl]benzamide (PubChem CID 16775395) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]benzamide
PubChem CID16775395
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]benzamide
SMILESNc1cc(C(F)(F)F)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)10-6-7-12(11(18)8-10)19-13(20)9-4-2-1-3-5-9/h1-8H,18H2,(H,19,20)
InChIKeyZNSOICXKRNAIRD-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.54
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

N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 102921222
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480984
N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16776129
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 16775181
3-[2-amino-4-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 110480197
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
CID 16775252
N-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide
CID 154292912
N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 3042222
3-[2-amino-4-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79153883

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]benzamide (CID 16775395) is N-[2-amino-4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]benzamide is Nc1cc(C(F)(F)F)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZNSOICXKRNAIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)10-6-7-12(11(18)8-10)19-13(20)9-4-2-1-3-5-9/h1-8H,18H2,(H,19,20).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]benzamide?
N-[2-amino-4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 280.25 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 16775395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).