N-(3-aminophenyl)-2-(trifluoromethyl)benzamide

C14H11F3N2O — CID 16774950

IUPACN-(3-aminophenyl)-2-(trifluoromethyl)benzamide
SMILESNc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)12-7-2-1-6-11(12)13(20)19-10-5-3-4-9(18)8-10/h1-8H,18H2,(H,19,20)
InChIKeyOZJIDHYZEGABEI-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.54
Rot. Bonds2

About N-(3-aminophenyl)-2-(trifluoromethyl)benzamide

N-(3-aminophenyl)-2-(trifluoromethyl)benzamide (PubChem CID 16774950) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(trifluoromethyl)benzamide
PubChem CID16774950
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC NameN-(3-aminophenyl)-2-(trifluoromethyl)benzamide
SMILESNc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)12-7-2-1-6-11(12)13(20)19-10-5-3-4-9(18)8-10/h1-8H,18H2,(H,19,20)
InChIKeyOZJIDHYZEGABEI-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-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866
N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 139177364
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide
CID 46530485
[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] hydrogen sulfate
CID 71328026
N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 108808083
N-(3-aminophenyl)-2,3-dimethylbenzamide
CID 16789314
4-amino-N-[3-[(3-aminobenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 135301189
2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide
CID 87570856
N-[3-[[2,4-dibromo-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzamide
CID 87572853

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-aminophenyl)-2-(trifluoromethyl)benzamide (CID 16774950) is N-(3-aminophenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-aminophenyl)-2-(trifluoromethyl)benzamide is Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-(3-aminophenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is OZJIDHYZEGABEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)12-7-2-1-6-11(12)13(20)19-10-5-3-4-9(18)8-10/h1-8H,18H2,(H,19,20).
What are the key properties of N-(3-aminophenyl)-2-(trifluoromethyl)benzamide?
N-(3-aminophenyl)-2-(trifluoromethyl)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-(3-aminophenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 16774950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).