5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide

C14H13ClFN3O2 — CID 107196316

IUPAC5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide
SMILESCOc1ccc(F)c(Nc2c(Cl)cc(N)cc2C(N)=O)c1
InChIInChI=1S/C14H13ClFN3O2/c1-21-8-2-3-11(16)12(6-8)19-13-9(14(18)20)4-7(17)5-10(13)15/h2-6,19H,17H2,1H3,(H2,18,20)
InChIKeyVCMBCLURHFMLIC-UHFFFAOYSA-N
MW309.73 g/mol
LogP2.91
Rot. Bonds4

About 5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide

5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide (PubChem CID 107196316) has the molecular formula C14H13ClFN3O2 and a molecular weight of 309.73 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide
PubChem CID107196316
Molecular FormulaC14H13ClFN3O2
Molecular Weight309.73 g/mol
Exact Mass309.07
IUPAC Name5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide
SMILESCOc1ccc(F)c(Nc2c(Cl)cc(N)cc2C(N)=O)c1
InChIInChI=1S/C14H13ClFN3O2/c1-21-8-2-3-11(16)12(6-8)19-13-9(14(18)20)4-7(17)5-10(13)15/h2-6,19H,17H2,1H3,(H2,18,20)
InChIKeyVCMBCLURHFMLIC-UHFFFAOYSA-N
XLogP2.91
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-3-chloro-2-(2,5-difluoroanilino)benzoate
CID 107192840
5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide
CID 107192270
5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide
CID 107193351
5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide
CID 107195194
5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide
CID 107196396
5-amino-3-chloro-2-(2-chloroanilino)benzamide
CID 107193224
3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid
CID 115935321
5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide
CID 107792965
methyl 5-amino-3-chloro-2-(5-fluoro-2-methylanilino)benzoate
CID 107193292
5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide
CID 107192577
5-amino-3-chloro-2-(2-chloro-5-cyanoanilino)benzamide
CID 107196343
5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid
CID 114919808

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide (CID 107196316) is 5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide is COc1ccc(F)c(Nc2c(Cl)cc(N)cc2C(N)=O)c1.
What is the InChIKey of 5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide?
The InChIKey is VCMBCLURHFMLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O2/c1-21-8-2-3-11(16)12(6-8)19-13-9(14(18)20)4-7(17)5-10(13)15/h2-6,19H,17H2,1H3,(H2,18,20).
What are the key properties of 5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide?
5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide has a molecular weight of 309.73 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide is sourced from PubChem (CID 107196316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).