3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide

C15H13ClF2N2O — CID 115744032

IUPAC3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NCc1cccc(Cl)c1F
InChIInChI=1S/C15H13ClF2N2O/c1-8-12(17)5-10(15(19)21)6-13(8)20-7-9-3-2-4-11(16)14(9)18/h2-6,20H,7H2,1H3,(H2,19,21)
InChIKeyXDNNGLPAZFFDKD-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.64
Rot. Bonds4

About 3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide

3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide (PubChem CID 115744032) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is 3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
PubChem CID115744032
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC Name3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NCc1cccc(Cl)c1F
InChIInChI=1S/C15H13ClF2N2O/c1-8-12(17)5-10(15(19)21)6-13(8)20-7-9-3-2-4-11(16)14(9)18/h2-6,20H,7H2,1H3,(H2,19,21)
InChIKeyXDNNGLPAZFFDKD-UHFFFAOYSA-N
XLogP3.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28572208
3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735711
5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide
CID 114487296
3-[(3-chloro-2-fluorophenyl)methylamino]benzamide
CID 115743478
3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide
CID 28572210
3-[(3-chloro-2-fluorophenyl)methylamino]-4-methylbenzoic acid
CID 114487403
3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115556847
3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide
CID 60780936
4-[(2-chloroanilino)methyl]-3-fluorobenzamide
CID 28581400
3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735719
4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951120
4-chloro-3-[(2,3-dichlorophenyl)methylamino]benzamide
CID 43679408

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide (CID 115744032) is 3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(N)=O)cc1NCc1cccc(Cl)c1F.
What is the InChIKey of 3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide?
The InChIKey is XDNNGLPAZFFDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c1-8-12(17)5-10(15(19)21)6-13(8)20-7-9-3-2-4-11(16)14(9)18/h2-6,20H,7H2,1H3,(H2,19,21).
What are the key properties of 3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide?
3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide has a molecular weight of 310.73 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 115744032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).