2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide

C18H17F2NO — CID 86956168

IUPAC2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
SMILESCC1CC1C(NC(=O)c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C18H17F2NO/c1-11-9-15(11)17(12-5-3-2-4-6-12)21-18(22)14-8-7-13(19)10-16(14)20/h2-8,10-11,15,17H,9H2,1H3,(H,21,22)
InChIKeyUMNLSLDDKDXIIM-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.09
Rot. Bonds4

About 2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide

2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide (PubChem CID 86956168) has the molecular formula C18H17F2NO and a molecular weight of 301.34 g/mol. Its IUPAC name is 2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
PubChem CID86956168
Molecular FormulaC18H17F2NO
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
SMILESCC1CC1C(NC(=O)c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C18H17F2NO/c1-11-9-15(11)17(12-5-3-2-4-6-12)21-18(22)14-8-7-13(19)10-16(14)20/h2-8,10-11,15,17H,9H2,1H3,(H,21,22)
InChIKeyUMNLSLDDKDXIIM-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956041
N-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 86956159
2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 86956162
2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid
CID 16771570
3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956050
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
N-[(1R)-1-(1-adamantyl)ethyl]-2,4-difluorobenzamide
CID 7689217
2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17406821
3-cyclopropyl-3-[(2,4-difluorobenzoyl)amino]propanoic acid
CID 81362386
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide (CID 86956168) is 2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide is CC1CC1C(NC(=O)c1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide?
The InChIKey is UMNLSLDDKDXIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO/c1-11-9-15(11)17(12-5-3-2-4-6-12)21-18(22)14-8-7-13(19)10-16(14)20/h2-8,10-11,15,17H,9H2,1H3,(H,21,22).
What are the key properties of 2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide?
2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide has a molecular weight of 301.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide is sourced from PubChem (CID 86956168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).