3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide

C16H16ClFN2O — CID 43432293

IUPAC3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NCc2c(F)cccc2Cl)c1
InChIInChI=1S/C16H16ClFN2O/c1-10-6-7-11(16(21)19-2)8-15(10)20-9-12-13(17)4-3-5-14(12)18/h3-8,20H,9H2,1-2H3,(H,19,21)
InChIKeyFSJOBQONXVZHAX-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.76
Rot. Bonds4

About 3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide

3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide (PubChem CID 43432293) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide
PubChem CID43432293
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NCc2c(F)cccc2Cl)c1
InChIInChI=1S/C16H16ClFN2O/c1-10-6-7-11(16(21)19-2)8-15(10)20-9-12-13(17)4-3-5-14(12)18/h3-8,20H,9H2,1-2H3,(H,19,21)
InChIKeyFSJOBQONXVZHAX-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-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide
CID 43720994
3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432295
3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008607
methyl 3-[(2,6-difluorophenyl)methylamino]-4-methylbenzoate
CID 43680485
4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide
CID 63646037
4-[(2-chloro-6-fluorophenyl)methylamino]-2,5-dimethylphenol
CID 106953996
2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide
CID 60934687
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
CID 29273451
3-[(5-bromo-2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43726850
3-[(3-chloro-2-fluorophenyl)methylamino]-4-methylbenzoic acid
CID 114487403
3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide
CID 39132668
4-[(2,6-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
CID 78997216

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide (CID 43432293) is 3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(NCc2c(F)cccc2Cl)c1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide?
The InChIKey is FSJOBQONXVZHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10-6-7-11(16(21)19-2)8-15(10)20-9-12-13(17)4-3-5-14(12)18/h3-8,20H,9H2,1-2H3,(H,19,21).
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide?
3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide 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 3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide is sourced from PubChem (CID 43432293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).