5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide

C14H13ClFN3O — CID 107193351

IUPAC5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide
SMILESCc1cc(F)ccc1Nc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C14H13ClFN3O/c1-7-4-8(16)2-3-12(7)19-13-10(14(18)20)5-9(17)6-11(13)15/h2-6,19H,17H2,1H3,(H2,18,20)
InChIKeyLJYQUGWWJJSPMK-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.21
Rot. Bonds3

About 5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide

5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide (PubChem CID 107193351) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide
PubChem CID107193351
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide
SMILESCc1cc(F)ccc1Nc1c(Cl)cc(N)cc1C(N)=O
InChIInChI=1S/C14H13ClFN3O/c1-7-4-8(16)2-3-12(7)19-13-10(14(18)20)5-9(17)6-11(13)15/h2-6,19H,17H2,1H3,(H2,18,20)
InChIKeyLJYQUGWWJJSPMK-UHFFFAOYSA-N
XLogP3.21
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.21
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-3-chloro-2-(5-fluoro-2-methylanilino)benzoic acid
CID 107193296
methyl 5-amino-3-chloro-2-(5-fluoro-2-methylanilino)benzoate
CID 107193292
5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide
CID 107183229
5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide
CID 107192577
5-amino-3-chloro-2-(2-chloroanilino)benzamide
CID 107193224
5-amino-2-(2-bromo-4-fluoroanilino)-3-chlorobenzoic acid
CID 107193652
5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide
CID 107196316
5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide
CID 107196396
5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide
CID 107792965
methyl 5-amino-3-chloro-2-(2,5-difluoroanilino)benzoate
CID 107192840
5-amino-2-(2-chloro-4-fluoroanilino)benzamide
CID 61312450

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide (CID 107193351) is 5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide is Cc1cc(F)ccc1Nc1c(Cl)cc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide?
The InChIKey is LJYQUGWWJJSPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-7-4-8(16)2-3-12(7)19-13-10(14(18)20)5-9(17)6-11(13)15/h2-6,19H,17H2,1H3,(H2,18,20).
What are the key properties of 5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide?
5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide has a molecular weight of 293.73 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide is sourced from PubChem (CID 107193351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).