4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide

C15H12F3N3O2 — CID 150605694

IUPAC4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2ccc(N)cc2C(F)(F)F)cc1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)11-7-10(19)5-6-12(11)21-14(23)9-3-1-8(2-4-9)13(20)22/h1-7H,19H2,(H2,20,22)(H,21,23)
InChIKeyISVCGHLKLWYYHX-UHFFFAOYSA-N
MW323.27 g/mol
LogP2.64
Rot. Bonds3

About 4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide

4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide (PubChem CID 150605694) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
PubChem CID150605694
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC Name4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2ccc(N)cc2C(F)(F)F)cc1
InChIInChI=1S/C15H12F3N3O2/c16-15(17,18)11-7-10(19)5-6-12(11)21-14(23)9-3-1-8(2-4-9)13(20)22/h1-7H,19H2,(H2,20,22)(H,21,23)
InChIKeyISVCGHLKLWYYHX-UHFFFAOYSA-N
XLogP2.64
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 52.64
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

1-N-[4-amino-2-(trifluoromethyl)phenyl]-4-N-[4-[[4-[[4-amino-2-(trifluoromethyl)phenyl]carbamoyl]-2-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-(trifluoromethyl)benzene-1,4-dicarboxamide
CID 175351009
N-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 43548409
4-amino-N-[4-[[4-amino-2-(trifluoromethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzamide
CID 135301185
1-N,4-N-bis[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 148615789
N-[4-amino-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106683164
N-[4-amino-2-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
CID 43548408
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
N-[4-amino-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65199742
N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64949859
3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide
CID 61091393
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide (CID 150605694) is 4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)Nc2ccc(N)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide?
The InChIKey is ISVCGHLKLWYYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c16-15(17,18)11-7-10(19)5-6-12(11)21-14(23)9-3-1-8(2-4-9)13(20)22/h1-7H,19H2,(H2,20,22)(H,21,23).
What are the key properties of 4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide?
4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide has a molecular weight of 323.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 150605694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).