2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide

C16H16ClFN2O — CID 62134778

IUPAC2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NCc2ccc(F)cc2C)ccc1Cl
InChIInChI=1S/C16H16ClFN2O/c1-10-7-12(18)4-3-11(10)9-20-13-5-6-15(17)14(8-13)16(21)19-2/h3-8,20H,9H2,1-2H3,(H,19,21)
InChIKeyUNGHEMRBBHUPHF-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.76
Rot. Bonds4

About 2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide

2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide (PubChem CID 62134778) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide
PubChem CID62134778
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NCc2ccc(F)cc2C)ccc1Cl
InChIInChI=1S/C16H16ClFN2O/c1-10-7-12(18)4-3-11(10)9-20-13-5-6-15(17)14(8-13)16(21)19-2/h3-8,20H,9H2,1-2H3,(H,19,21)
InChIKeyUNGHEMRBBHUPHF-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

2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide
CID 60936552
2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide
CID 115951601
2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide
CID 102670907
4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 63423206
4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 103605319
methyl 2-chloro-5-[(2,4-difluorophenyl)methylamino]benzoate
CID 43672668
2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide
CID 60934687
3-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-4-nitroaniline
CID 82864156
2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
CID 54864534
3-chloro-4-ethoxy-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 63448864
2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide
CID 64593149
3-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-4-propan-2-yloxyaniline
CID 63445564

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide (CID 62134778) is 2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide is CNC(=O)c1cc(NCc2ccc(F)cc2C)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide?
The InChIKey is UNGHEMRBBHUPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10-7-12(18)4-3-11(10)9-20-13-5-6-15(17)14(8-13)16(21)19-2/h3-8,20H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide?
2-chloro-5-[(4-fluoro-2-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 2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 62134778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).