2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide

C18H18FNO — CID 86956041

IUPAC2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
SMILESCC1CC1C(NC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C18H18FNO/c1-12-11-15(12)17(13-7-3-2-4-8-13)20-18(21)14-9-5-6-10-16(14)19/h2-10,12,15,17H,11H2,1H3,(H,20,21)
InChIKeyDVVGPLGNPLLOGV-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.95
Rot. Bonds4

About 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide

2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide (PubChem CID 86956041) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
PubChem CID86956041
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
SMILESCC1CC1C(NC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C18H18FNO/c1-12-11-15(12)17(13-7-3-2-4-8-13)20-18(21)14-9-5-6-10-16(14)19/h2-10,12,15,17H,11H2,1H3,(H,20,21)
InChIKeyDVVGPLGNPLLOGV-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956168
2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 86956162
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
N-[(2-methylcyclopropyl)-phenylmethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 86956159
4-(difluoromethylsulfonyl)-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956089
N-(1,1-diphenylpropan-2-yl)-2-fluorobenzamide
CID 46432015
methyl 3-[[(2-methylcyclopropyl)-phenylmethyl]carbamoyl]benzoate
CID 86956101
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
3-cyano-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956050
N-[(2-methylcyclopropyl)-phenylmethyl]-3-nitrobenzamide
CID 86956169
[(2R)-2-[(2-fluorobenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8937649
2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide
CID 10570753

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide?
The IUPAC name of 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide (CID 86956041) is 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide is CC1CC1C(NC(=O)c1ccccc1F)c1ccccc1.
What is the InChIKey of 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide?
The InChIKey is DVVGPLGNPLLOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-12-11-15(12)17(13-7-3-2-4-8-13)20-18(21)14-9-5-6-10-16(14)19/h2-10,12,15,17H,11H2,1H3,(H,20,21).
What are the key properties of 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide?
2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide has a molecular weight of 283.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide is sourced from PubChem (CID 86956041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).