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

C14H11F3N2O — CID 572426

IUPACN-(2-aminophenyl)-3-(trifluoromethyl)benzamide
SMILESNc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)10-5-3-4-9(8-10)13(20)19-12-7-2-1-6-11(12)18/h1-8H,18H2,(H,19,20)
InChIKeyGHMQDKBUBCXCIU-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.54
Rot. Bonds2

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

N-(2-aminophenyl)-3-(trifluoromethyl)benzamide (PubChem CID 572426) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(trifluoromethyl)benzamide
PubChem CID572426
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC NameN-(2-aminophenyl)-3-(trifluoromethyl)benzamide
SMILESNc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)10-5-3-4-9(8-10)13(20)19-12-7-2-1-6-11(12)18/h1-8H,18H2,(H,19,20)
InChIKeyGHMQDKBUBCXCIU-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

Tacedinaline
CID 2746
Ameltolide
CID 13086
Benodanil
CID 27195
Dinaline
CID 42725
Benzanilide
CID 7168
RG-2833
CID 56654642
N-(2-aminophenyl)benzamide
CID 759408
4'-Methylbenzanilide
CID 68497
2-Amino-N-phenylbenzamide
CID 78142
3-Aminobenzanilide
CID 84347
5,10-Dihydro-11H-dibenzo(b,e)(1,4)diazepin-11-one
CID 201327
2-Toluanilide
CID 23466

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-aminophenyl)-3-(trifluoromethyl)benzamide (CID 572426) is N-(2-aminophenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-3-(trifluoromethyl)benzamide is Nc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-aminophenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is GHMQDKBUBCXCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)10-5-3-4-9(8-10)13(20)19-12-7-2-1-6-11(12)18/h1-8H,18H2,(H,19,20).
What are the key properties of N-(2-aminophenyl)-3-(trifluoromethyl)benzamide?
N-(2-aminophenyl)-3-(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-(2-aminophenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 572426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).