3-amino-4-(2,3,4-trifluoroanilino)benzamide

C13H10F3N3O — CID 43448405

IUPAC3-amino-4-(2,3,4-trifluoroanilino)benzamide
SMILESNC(=O)c1ccc(Nc2ccc(F)c(F)c2F)c(N)c1
InChIInChI=1S/C13H10F3N3O/c14-7-2-4-10(12(16)11(7)15)19-9-3-1-6(13(18)20)5-8(9)17/h1-5,19H,17H2,(H2,18,20)
InChIKeyCMQYPKNRJQIBCE-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.53
Rot. Bonds3

About 3-amino-4-(2,3,4-trifluoroanilino)benzamide

3-amino-4-(2,3,4-trifluoroanilino)benzamide (PubChem CID 43448405) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 3-amino-4-(2,3,4-trifluoroanilino)benzamide.

Molecular Properties

Compound Name3-amino-4-(2,3,4-trifluoroanilino)benzamide
PubChem CID43448405
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name3-amino-4-(2,3,4-trifluoroanilino)benzamide
SMILESNC(=O)c1ccc(Nc2ccc(F)c(F)c2F)c(N)c1
InChIInChI=1S/C13H10F3N3O/c14-7-2-4-10(12(16)11(7)15)19-9-3-1-6(13(18)20)5-8(9)17/h1-5,19H,17H2,(H2,18,20)
InChIKeyCMQYPKNRJQIBCE-UHFFFAOYSA-N
XLogP2.53
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(2,5-dichloroanilino)benzamide
CID 43448380
3-amino-4-(3-fluoro-2-methylanilino)benzamide
CID 55031084
3-amino-4-(4-fluoro-3-methylanilino)benzamide
CID 55119022
3-amino-4-(2,3-difluoroanilino)-N-methylbenzamide
CID 82988443
4-fluoro-5-iodo-2-N-(2,3,4-trifluorophenyl)benzene-1,2-diamine
CID 66100059
3-amino-4-chloro-N-(2,3,4-trifluorophenyl)benzamide
CID 28722870
3-amino-4-(2-fluoro-3-methylanilino)benzoic acid
CID 114254947
4-chloro-2-N-(2,3,4-trifluorophenyl)benzene-1,2-diamine
CID 113315585
3-amino-4-[3-(trifluoromethyl)anilino]benzamide
CID 43448394
3-amino-4-(ethylamino)benzamide
CID 43448330
3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide
CID 43448331
3-amino-4-(2-bromo-4-cyanoanilino)benzamide
CID 107787268

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,3,4-trifluoroanilino)benzamide?
The IUPAC name of 3-amino-4-(2,3,4-trifluoroanilino)benzamide (CID 43448405) is 3-amino-4-(2,3,4-trifluoroanilino)benzamide.
What is the SMILES notation for 3-amino-4-(2,3,4-trifluoroanilino)benzamide?
The canonical SMILES for 3-amino-4-(2,3,4-trifluoroanilino)benzamide is NC(=O)c1ccc(Nc2ccc(F)c(F)c2F)c(N)c1.
What is the InChIKey of 3-amino-4-(2,3,4-trifluoroanilino)benzamide?
The InChIKey is CMQYPKNRJQIBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-7-2-4-10(12(16)11(7)15)19-9-3-1-6(13(18)20)5-8(9)17/h1-5,19H,17H2,(H2,18,20).
What are the key properties of 3-amino-4-(2,3,4-trifluoroanilino)benzamide?
3-amino-4-(2,3,4-trifluoroanilino)benzamide has a molecular weight of 281.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,3,4-trifluoroanilino)benzamide is sourced from PubChem (CID 43448405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).