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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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).