N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide

C15H14ClFN2O — CID 62511235

IUPACN-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H14ClFN2O/c1-9-3-5-13(18-2)11(7-9)15(20)19-14-6-4-10(17)8-12(14)16/h3-8,18H,1-2H3,(H,19,20)
InChIKeyQERMIIXXIZSQQE-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.08
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide

N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide (PubChem CID 62511235) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
PubChem CID62511235
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H14ClFN2O/c1-9-3-5-13(18-2)11(7-9)15(20)19-14-6-4-10(17)8-12(14)16/h3-8,18H,1-2H3,(H,19,20)
InChIKeyQERMIIXXIZSQQE-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62509154
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CID 107531322
5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
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N-(3-fluoro-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 79046553
5-chloro-N-(2,5-difluorophenyl)-2-(methylamino)benzamide
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N-(2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide
CID 65499464
N-(2-amino-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43259104
N-(2-chloro-5-fluorophenyl)-2-(ethylamino)-5-methylbenzamide
CID 107531156
N-(2-chloro-4-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963066
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
N-(4-amino-2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62515470
N-(2-chloro-5-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 103733508

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide (CID 62511235) is N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide is CNc1ccc(C)cc1C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide?
The InChIKey is QERMIIXXIZSQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9-3-5-13(18-2)11(7-9)15(20)19-14-6-4-10(17)8-12(14)16/h3-8,18H,1-2H3,(H,19,20).
What are the key properties of N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide?
N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide has a molecular weight of 292.74 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 62511235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).