3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide

C14H12F3N3O — CID 61091393

IUPAC3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESNc1cc(N)cc(C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)11-3-1-2-4-12(11)20-13(21)8-5-9(18)7-10(19)6-8/h1-7H,18-19H2,(H,20,21)
InChIKeyNJCNSTMQLJZRRG-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.12
Rot. Bonds2

About 3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide

3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 61091393) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID61091393
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESNc1cc(N)cc(C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)11-3-1-2-4-12(11)20-13(21)8-5-9(18)7-10(19)6-8/h1-7H,18-19H2,(H,20,21)
InChIKeyNJCNSTMQLJZRRG-UHFFFAOYSA-N
XLogP3.12
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-fluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62679068
4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43642725
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
[4-[[2-(trifluoromethyl)phenyl]carbamoyl]phenyl]boronic acid
CID 44717648
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
4-hydroxy-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 107676526
4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3523011
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
3-N-phenyl-5-N-[2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107800
2-amino-5-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62511382

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide (CID 61091393) is 3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide is Nc1cc(N)cc(C(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NJCNSTMQLJZRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-14(16,17)11-3-1-2-4-12(11)20-13(21)8-5-9(18)7-10(19)6-8/h1-7H,18-19H2,(H,20,21).
What are the key properties of 3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide?
3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 295.26 g/mol, XLogP of 3.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 61091393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).