N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide

C15H14BrFN2O — CID 62649691

IUPACN-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C15H14BrFN2O/c1-9-8-10(16)6-7-13(9)19-15(20)11-4-3-5-12(17)14(11)18-2/h3-8,18H,1-2H3,(H,19,20)
InChIKeyZDHQRLDFFNZEGR-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.19
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide

N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide (PubChem CID 62649691) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide
PubChem CID62649691
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C15H14BrFN2O/c1-9-8-10(16)6-7-13(9)19-15(20)11-4-3-5-12(17)14(11)18-2/h3-8,18H,1-2H3,(H,19,20)
InChIKeyZDHQRLDFFNZEGR-UHFFFAOYSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
CID 62808855
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide
CID 3475796
N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide
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N-(4-bromo-2-methylphenyl)-2-sulfanylbenzamide
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N-(4-bromo-2-methylphenyl)-5-fluoro-2-methylbenzamide
CID 60705568
N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 62509130
N-(2-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81480740
N-(2-chlorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 55099714
N-(2,4-dibromophenyl)-2,3-difluorobenzamide
CID 55099912
2-fluoro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234575
N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 62650098

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide (CID 62649691) is N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide is CNc1c(F)cccc1C(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide?
The InChIKey is ZDHQRLDFFNZEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-9-8-10(16)6-7-13(9)19-15(20)11-4-3-5-12(17)14(11)18-2/h3-8,18H,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide?
N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide has a molecular weight of 337.19 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide is sourced from PubChem (CID 62649691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).