2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide

C15H14ClFN2O — CID 102670907

IUPAC2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide
SMILESCc1ccc(F)cc1CNc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C15H14ClFN2O/c1-9-2-3-11(17)6-10(9)8-19-12-4-5-14(16)13(7-12)15(18)20/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyRAFOOMFLGPUMJN-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.50
Rot. Bonds4

About 2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide

2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide (PubChem CID 102670907) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide
PubChem CID102670907
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide
SMILESCc1ccc(F)cc1CNc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C15H14ClFN2O/c1-9-2-3-11(17)6-10(9)8-19-12-4-5-14(16)13(7-12)15(18)20/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyRAFOOMFLGPUMJN-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]benzamide
CID 63646371
2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 62134778
[3-[(5-fluoro-2-methylphenyl)methylamino]phenyl]urea
CID 103944178
2-chloro-5-[(2,4-dihydroxyphenyl)methylamino]benzamide
CID 43713579
N-[4-[(5-fluoro-2-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 103943723
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 28555155
2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide
CID 83086550
methyl 2-chloro-5-[(2,4-difluorophenyl)methylamino]benzoate
CID 43672668
5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
CID 43705170
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-3-methylaniline
CID 115967998
N-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine
CID 105371129
4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 63423206

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide?
The IUPAC name of 2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide (CID 102670907) is 2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide.
What is the SMILES notation for 2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide?
The canonical SMILES for 2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide is Cc1ccc(F)cc1CNc1ccc(Cl)c(C(N)=O)c1.
What is the InChIKey of 2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide?
The InChIKey is RAFOOMFLGPUMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9-2-3-11(17)6-10(9)8-19-12-4-5-14(16)13(7-12)15(18)20/h2-7,19H,8H2,1H3,(H2,18,20).
What are the key properties of 2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide?
2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide has a molecular weight of 292.74 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide is sourced from PubChem (CID 102670907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).