4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide

C15H14ClFN2O — CID 103605319

IUPAC4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C15H14ClFN2O/c1-18-15(20)10-3-6-13(7-4-10)19-9-11-2-5-12(17)8-14(11)16/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyWTVOZFZWHFNOTR-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.45
Rot. Bonds4

About 4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide

4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide (PubChem CID 103605319) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
PubChem CID103605319
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C15H14ClFN2O/c1-18-15(20)10-3-6-13(7-4-10)19-9-11-2-5-12(17)8-14(11)16/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyWTVOZFZWHFNOTR-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 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 ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 30051350
2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 62134778
3,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoroaniline
CID 107573826
1-(4-acetylphenyl)-3-[(2-chloro-4-fluorophenyl)methyl]urea
CID 71556387
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 28555155
N-methyl-4-[(2,3,4-trihydroxyphenyl)methylamino]benzamide
CID 107730574
N-[(2-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxyaniline
CID 28969852
4-[(2-hydroxy-4-methoxyphenyl)methylamino]-N-methylbenzamide
CID 61263985
4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide
CID 107095670
4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 43781065
2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide
CID 43214947
1-(4-tert-butylphenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 63410452

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide?
The IUPAC name of 4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide (CID 103605319) is 4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide is CNC(=O)c1ccc(NCc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide?
The InChIKey is WTVOZFZWHFNOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-18-15(20)10-3-6-13(7-4-10)19-9-11-2-5-12(17)8-14(11)16/h2-8,19H,9H2,1H3,(H,18,20).
What are the key properties of 4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide?
4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide has a molecular weight of 292.74 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 103605319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).