N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide

C15H13Cl2FN2O — CID 62649355

IUPACN-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C15H13Cl2FN2O/c1-8-6-7-10(16)14(12(8)17)20-15(21)9-4-3-5-11(18)13(9)19-2/h3-7,19H,1-2H3,(H,20,21)
InChIKeyXKLIWDWCQVYYNK-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.73
Rot. Bonds3

About N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide

N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide (PubChem CID 62649355) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide
PubChem CID62649355
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C15H13Cl2FN2O/c1-8-6-7-10(16)14(12(8)17)20-15(21)9-4-3-5-11(18)13(9)19-2/h3-7,19H,1-2H3,(H,20,21)
InChIKeyXKLIWDWCQVYYNK-UHFFFAOYSA-N
XLogP4.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 55099714
3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide
CID 62648773
N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide
CID 60628486
3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
CID 62808855
N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 62650098
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
3-chloro-N-(2,6-dichloro-3-methylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62186267
N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide
CID 62649691
2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide
CID 106685178
2-chloro-6-fluoro-N,3-dimethylaniline
CID 174640789
3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62649569
2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 81497353

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide (CID 62649355) is N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide is CNc1c(F)cccc1C(=O)Nc1c(Cl)ccc(C)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide?
The InChIKey is XKLIWDWCQVYYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-8-6-7-10(16)14(12(8)17)20-15(21)9-4-3-5-11(18)13(9)19-2/h3-7,19H,1-2H3,(H,20,21).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide?
N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide has a molecular weight of 327.19 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide is sourced from PubChem (CID 62649355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).