2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide

C16H23FN2O — CID 134046292

IUPAC2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
SMILESCc1cc(CNC(=O)CN(C)C(C)C2CC2)ccc1F
InChIInChI=1S/C16H23FN2O/c1-11-8-13(4-7-15(11)17)9-18-16(20)10-19(3)12(2)14-5-6-14/h4,7-8,12,14H,5-6,9-10H2,1-3H3,(H,18,20)
InChIKeyNINGZMVHXVTHGF-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.48
Rot. Bonds6

About 2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide

2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide (PubChem CID 134046292) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
PubChem CID134046292
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
SMILESCc1cc(CNC(=O)CN(C)C(C)C2CC2)ccc1F
InChIInChI=1S/C16H23FN2O/c1-11-8-13(4-7-15(11)17)9-18-16(20)10-19(3)12(2)14-5-6-14/h4,7-8,12,14H,5-6,9-10H2,1-3H3,(H,18,20)
InChIKeyNINGZMVHXVTHGF-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63298312
N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119698471
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 34218990
(3S)-3-cyclopropyl-N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxybutanamide
CID 97068171
methyl 4-[(4-fluoro-3-methylphenyl)methylamino]-4-oxobutanoate
CID 110779721
2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-ethylacetamide
CID 52533893
4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37215840
N-[(4-fluoro-3-methylphenyl)methyl]-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
CID 112695416
2-amino-4-[(4-fluoro-3-methylphenyl)methylamino]-4-oxobutanoic acid
CID 115181057
2-(1-aminopropan-2-ylsulfanyl)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 66218348
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55132319
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide (CID 134046292) is 2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide is Cc1cc(CNC(=O)CN(C)C(C)C2CC2)ccc1F.
What is the InChIKey of 2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
The InChIKey is NINGZMVHXVTHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11-8-13(4-7-15(11)17)9-18-16(20)10-19(3)12(2)14-5-6-14/h4,7-8,12,14H,5-6,9-10H2,1-3H3,(H,18,20).
What are the key properties of 2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide?
2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide has a molecular weight of 278.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 134046292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).