3-amino-2-(3-chloro-4-fluoroanilino)benzamide

C13H11ClFN3O — CID 112577949

IUPAC3-amino-2-(3-chloro-4-fluoroanilino)benzamide
SMILESNC(=O)c1cccc(N)c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H11ClFN3O/c14-9-6-7(4-5-10(9)15)18-12-8(13(17)19)2-1-3-11(12)16/h1-6,18H,16H2,(H2,17,19)
InChIKeyMGHIITJFNCEQGU-UHFFFAOYSA-N
MW279.70 g/mol
LogP2.90
Rot. Bonds3

About 3-amino-2-(3-chloro-4-fluoroanilino)benzamide

3-amino-2-(3-chloro-4-fluoroanilino)benzamide (PubChem CID 112577949) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 3-amino-2-(3-chloro-4-fluoroanilino)benzamide.

Molecular Properties

Compound Name3-amino-2-(3-chloro-4-fluoroanilino)benzamide
PubChem CID112577949
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name3-amino-2-(3-chloro-4-fluoroanilino)benzamide
SMILESNC(=O)c1cccc(N)c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H11ClFN3O/c14-9-6-7(4-5-10(9)15)18-12-8(13(17)19)2-1-3-11(12)16/h1-6,18H,16H2,(H2,17,19)
InChIKeyMGHIITJFNCEQGU-UHFFFAOYSA-N
XLogP2.90
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 52.90
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

3-amino-2-(3-chloro-4-fluoroanilino)benzoic acid
CID 112577948
3-amino-2-(3-fluoroanilino)benzamide
CID 112577784
3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide
CID 107645811
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
3-amino-2-(4-methylsulfanylanilino)benzamide
CID 112577711
3-amino-2-(3-iodo-4-methylanilino)benzamide
CID 114257938
5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 61359759
3-amino-2-(2,3-difluoroanilino)benzamide
CID 112578278
1-[2-amino-5-(3-chloro-4-fluoroanilino)phenyl]ethanone
CID 104612312
3-amino-2-(2-chloro-4-iodoanilino)benzamide
CID 107607634
3-amino-2-(3,5-dimethoxyanilino)benzamide
CID 115933905
2-(3-chloro-4-fluorophenyl)benzene-1,3-dicarboxamide
CID 152528464

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-chloro-4-fluoroanilino)benzamide?
The IUPAC name of 3-amino-2-(3-chloro-4-fluoroanilino)benzamide (CID 112577949) is 3-amino-2-(3-chloro-4-fluoroanilino)benzamide.
What is the SMILES notation for 3-amino-2-(3-chloro-4-fluoroanilino)benzamide?
The canonical SMILES for 3-amino-2-(3-chloro-4-fluoroanilino)benzamide is NC(=O)c1cccc(N)c1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-amino-2-(3-chloro-4-fluoroanilino)benzamide?
The InChIKey is MGHIITJFNCEQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c14-9-6-7(4-5-10(9)15)18-12-8(13(17)19)2-1-3-11(12)16/h1-6,18H,16H2,(H2,17,19).
What are the key properties of 3-amino-2-(3-chloro-4-fluoroanilino)benzamide?
3-amino-2-(3-chloro-4-fluoroanilino)benzamide has a molecular weight of 279.70 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-chloro-4-fluoroanilino)benzamide is sourced from PubChem (CID 112577949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).