N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide

C18H18FNO — CID 110355576

IUPACN-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
SMILESO=C(NCc1ccccc1)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H18FNO/c19-16-10-8-15(9-11-16)17(14-6-7-14)18(21)20-12-13-4-2-1-3-5-13/h1-5,8-11,14,17H,6-7,12H2,(H,20,21)
InChIKeyLFNXMXKKDMAFIK-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.64
Rot. Bonds5

About N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide

N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide (PubChem CID 110355576) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
PubChem CID110355576
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC NameN-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
SMILESO=C(NCc1ccccc1)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H18FNO/c19-16-10-8-15(9-11-16)17(14-6-7-14)18(21)20-12-13-4-2-1-3-5-13/h1-5,8-11,14,17H,6-7,12H2,(H,20,21)
InChIKeyLFNXMXKKDMAFIK-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 110409297
2-cyclopropyl-2-(4-fluorophenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)acetamide
CID 110420949
2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide
CID 110355902
N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
CID 70849144
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535
1-[(S)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257538
5-[[(2-cyclopropyl-2-phenylacetyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110260
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide
CID 110629945
2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide
CID 110610202
2-cyclopropyl-2-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 110355345
2-cyclopentyl-2-phenyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 91794763
2-cyclopropyl-2-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 110428220

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide (CID 110355576) is N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide is O=C(NCc1ccccc1)C(c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide?
The InChIKey is LFNXMXKKDMAFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c19-16-10-8-15(9-11-16)17(14-6-7-14)18(21)20-12-13-4-2-1-3-5-13/h1-5,8-11,14,17H,6-7,12H2,(H,20,21).
What are the key properties of N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide?
N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide has a molecular weight of 283.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 110355576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).