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

C13H11ClFN3O — CID 61312450

IUPAC5-amino-2-(2-chloro-4-fluoroanilino)benzamide
SMILESNC(=O)c1cc(N)ccc1Nc1ccc(F)cc1Cl
InChIInChI=1S/C13H11ClFN3O/c14-10-5-7(15)1-3-12(10)18-11-4-2-8(16)6-9(11)13(17)19/h1-6,18H,16H2,(H2,17,19)
InChIKeyQLRVONYGGOFAEW-UHFFFAOYSA-N
MW279.70 g/mol
LogP2.90
Rot. Bonds3

About 5-amino-2-(2-chloro-4-fluoroanilino)benzamide

5-amino-2-(2-chloro-4-fluoroanilino)benzamide (PubChem CID 61312450) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 5-amino-2-(2-chloro-4-fluoroanilino)benzamide.

Molecular Properties

Compound Name5-amino-2-(2-chloro-4-fluoroanilino)benzamide
PubChem CID61312450
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name5-amino-2-(2-chloro-4-fluoroanilino)benzamide
SMILESNC(=O)c1cc(N)ccc1Nc1ccc(F)cc1Cl
InChIInChI=1S/C13H11ClFN3O/c14-10-5-7(15)1-3-12(10)18-11-4-2-8(16)6-9(11)13(17)19/h1-6,18H,16H2,(H2,17,19)
InChIKeyQLRVONYGGOFAEW-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

5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide
CID 107192270
5-amino-2-(2-chloro-4-cyanoanilino)benzamide
CID 107809740
1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29080215
5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide
CID 29079625
4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine
CID 29080218
5-amino-2-(5-bromo-2,4-difluoroanilino)benzamide
CID 102854796
5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide
CID 107193351
5-amino-2-(4-bromoanilino)benzamide
CID 55125298
4-amino-2-(2-bromo-5-fluoroanilino)benzamide
CID 107634543
5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide
CID 61095146
2-(5-amino-2-chloroanilino)-5-nitrobenzamide
CID 61014850
methyl 5-amino-2-(4-fluoro-2-methylanilino)benzoate
CID 61306561

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-chloro-4-fluoroanilino)benzamide?
The IUPAC name of 5-amino-2-(2-chloro-4-fluoroanilino)benzamide (CID 61312450) is 5-amino-2-(2-chloro-4-fluoroanilino)benzamide.
What is the SMILES notation for 5-amino-2-(2-chloro-4-fluoroanilino)benzamide?
The canonical SMILES for 5-amino-2-(2-chloro-4-fluoroanilino)benzamide is NC(=O)c1cc(N)ccc1Nc1ccc(F)cc1Cl.
What is the InChIKey of 5-amino-2-(2-chloro-4-fluoroanilino)benzamide?
The InChIKey is QLRVONYGGOFAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c14-10-5-7(15)1-3-12(10)18-11-4-2-8(16)6-9(11)13(17)19/h1-6,18H,16H2,(H2,17,19).
What are the key properties of 5-amino-2-(2-chloro-4-fluoroanilino)benzamide?
5-amino-2-(2-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 5-amino-2-(2-chloro-4-fluoroanilino)benzamide is sourced from PubChem (CID 61312450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).