4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide

C16H16ClFN2O — CID 63646037

IUPAC4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NCc2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H16ClFN2O/c1-10-3-4-11(7-14(10)18)9-20-15-8-12(16(21)19-2)5-6-13(15)17/h3-8,20H,9H2,1-2H3,(H,19,21)
InChIKeyLZXVRADUSXHPSQ-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.76
Rot. Bonds4

About 4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide

4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide (PubChem CID 63646037) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide
PubChem CID63646037
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NCc2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H16ClFN2O/c1-10-3-4-11(7-14(10)18)9-20-15-8-12(16(21)19-2)5-6-13(15)17/h3-8,20H,9H2,1-2H3,(H,19,21)
InChIKeyLZXVRADUSXHPSQ-UHFFFAOYSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 81147765
4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740076
4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide
CID 43720994
3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008607
3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432293
methyl 3-[(3-fluoro-4-methylphenyl)methylamino]-4-methylbenzoate
CID 63644860
4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
CID 106816294
2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-nitroaniline
CID 63645538
2-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]benzamide
CID 63646371
methyl 4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzoate
CID 43784636
methyl 4-chloro-3-[(3-fluoro-4-hydroxyphenyl)methylamino]benzoate
CID 107685484
4-chloro-3-[(2,4-dihydroxyphenyl)methylamino]-N-methylbenzamide
CID 43720990

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide?
The IUPAC name of 4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide (CID 63646037) is 4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide is CNC(=O)c1ccc(Cl)c(NCc2ccc(C)c(F)c2)c1.
What is the InChIKey of 4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide?
The InChIKey is LZXVRADUSXHPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10-3-4-11(7-14(10)18)9-20-15-8-12(16(21)19-2)5-6-13(15)17/h3-8,20H,9H2,1-2H3,(H,19,21).
What are the key properties of 4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide?
4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide has a molecular weight of 306.77 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 63646037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).