N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide

C20H23FN2O — CID 86918867

IUPACN-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(c1ccccc1)C1CC1)Cc1cccc(F)c1
InChIInChI=1S/C20H23FN2O/c1-23(13-15-6-5-9-18(21)12-15)14-19(24)22-20(17-10-11-17)16-7-3-2-4-8-16/h2-9,12,17,20H,10-11,13-14H2,1H3,(H,22,24)
InChIKeyIYSOPXCQJAFKEK-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.53
Rot. Bonds7

About N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide

N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 86918867) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
PubChem CID86918867
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(c1ccccc1)C1CC1)Cc1cccc(F)c1
InChIInChI=1S/C20H23FN2O/c1-23(13-15-6-5-9-18(21)12-15)14-19(24)22-20(17-10-11-17)16-7-3-2-4-8-16/h2-9,12,17,20H,10-11,13-14H2,1H3,(H,22,24)
InChIKeyIYSOPXCQJAFKEK-UHFFFAOYSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 141220125
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 86976781
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 18088031
1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol
CID 111858608
2-[[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 86919109
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide
CID 110899428
(2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide
CID 8516208
3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide
CID 119715345
N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 67357717

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide (CID 86918867) is N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide is CN(CC(=O)NC(c1ccccc1)C1CC1)Cc1cccc(F)c1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is IYSOPXCQJAFKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-23(13-15-6-5-9-18(21)12-15)14-19(24)22-20(17-10-11-17)16-7-3-2-4-8-16/h2-9,12,17,20H,10-11,13-14H2,1H3,(H,22,24).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 326.42 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 86918867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).