5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide

C14H11ClF2N2O — CID 103295873

IUPAC5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)Nc2ccc(F)cc2Cl)c1F
InChIInChI=1S/C14H11ClF2N2O/c1-7-4-9(18)6-10(13(7)17)14(20)19-12-3-2-8(16)5-11(12)15/h2-6H,18H2,1H3,(H,19,20)
InChIKeyOYIZCBONQVJXTD-UHFFFAOYSA-N
MW296.70 g/mol
LogP3.76
Rot. Bonds2

About 5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide

5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide (PubChem CID 103295873) has the molecular formula C14H11ClF2N2O and a molecular weight of 296.70 g/mol. Its IUPAC name is 5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
PubChem CID103295873
Molecular FormulaC14H11ClF2N2O
Molecular Weight296.70 g/mol
Exact Mass296.05
IUPAC Name5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)Nc2ccc(F)cc2Cl)c1F
InChIInChI=1S/C14H11ClF2N2O/c1-7-4-9(18)6-10(13(7)17)14(20)19-12-3-2-8(16)5-11(12)15/h2-6H,18H2,1H3,(H,19,20)
InChIKeyOYIZCBONQVJXTD-UHFFFAOYSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-(2-chloro-4-fluorophenyl)benzamide
CID 29079625
5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide
CID 107183229
5-amino-2,3-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 107183212
5-amino-N-(2-chloro-4-fluorophenyl)-2-(dimethylamino)benzamide
CID 61095146
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 103295994
N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62511235
2-amino-N-(2-chloro-4-fluorophenyl)-5-hydroxybenzamide
CID 107073989
2-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
CID 104725738
N-(2-amino-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43259104
5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 103296247
5-amino-2-bromo-N-(2-chloro-4-fluorophenyl)-4-fluorobenzamide
CID 62815766

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide (CID 103295873) is 5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide is Cc1cc(N)cc(C(=O)Nc2ccc(F)cc2Cl)c1F.
What is the InChIKey of 5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide?
The InChIKey is OYIZCBONQVJXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O/c1-7-4-9(18)6-10(13(7)17)14(20)19-12-3-2-8(16)5-11(12)15/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide?
5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide has a molecular weight of 296.70 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103295873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).