5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide

C14H10ClF3N2O — CID 114487296

IUPAC5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide
SMILESNC(=O)c1cc(NCc2cccc(Cl)c2F)c(F)cc1F
InChIInChI=1S/C14H10ClF3N2O/c15-9-3-1-2-7(13(9)18)6-20-12-4-8(14(19)21)10(16)5-11(12)17/h1-5,20H,6H2,(H2,19,21)
InChIKeyHVIDXVBYESLXQS-UHFFFAOYSA-N
MW314.69 g/mol
LogP3.47
Rot. Bonds4

About 5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide

5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide (PubChem CID 114487296) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is 5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide
PubChem CID114487296
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC Name5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide
SMILESNC(=O)c1cc(NCc2cccc(Cl)c2F)c(F)cc1F
InChIInChI=1S/C14H10ClF3N2O/c15-9-3-1-2-7(13(9)18)6-20-12-4-8(14(19)21)10(16)5-11(12)17/h1-5,20H,6H2,(H2,19,21)
InChIKeyHVIDXVBYESLXQS-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115744032
5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide
CID 43673715
3-[(3-chloro-2-fluorophenyl)methylamino]benzamide
CID 115743478
2-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815579
3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 102664471
2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
CID 62472762
5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
CID 43705170
3-[(3-chloro-2-fluorophenyl)methylamino]-4-methylbenzoic acid
CID 114487403
2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide
CID 43673750
4-[(2-chloroanilino)methyl]-3-fluorobenzamide
CID 28581400
4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951120
3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide
CID 28572210

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide?
The IUPAC name of 5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide (CID 114487296) is 5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide.
What is the SMILES notation for 5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide?
The canonical SMILES for 5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide is NC(=O)c1cc(NCc2cccc(Cl)c2F)c(F)cc1F.
What is the InChIKey of 5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide?
The InChIKey is HVIDXVBYESLXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c15-9-3-1-2-7(13(9)18)6-20-12-4-8(14(19)21)10(16)5-11(12)17/h1-5,20H,6H2,(H2,19,21).
What are the key properties of 5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide?
5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide has a molecular weight of 314.69 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide is sourced from PubChem (CID 114487296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).