N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide

C14H18FNO — CID 94158892

IUPACN-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide
SMILESCN(CC1CC1)C(=O)CCc1ccccc1F
InChIInChI=1S/C14H18FNO/c1-16(10-11-6-7-11)14(17)9-8-12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3
InChIKeyZWEAPQGBZXCOIE-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.63
Rot. Bonds5

About N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide

N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide (PubChem CID 94158892) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide
PubChem CID94158892
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC NameN-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide
SMILESCN(CC1CC1)C(=O)CCc1ccccc1F
InChIInChI=1S/C14H18FNO/c1-16(10-11-6-7-11)14(17)9-8-12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3
InChIKeyZWEAPQGBZXCOIE-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide
CID 54883935
3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
CID 42402093
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide
CID 25461385
N-[(3-bromocyclobutyl)methyl]-N-methyl-3-(2-methylphenyl)propanamide
CID 80672869
3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 110724799
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-2-ylpropanamide
CID 25278684
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide
CID 26332764
1-cyclopropyl-3-(2-fluorophenyl)propan-1-one
CID 63351757
N-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 86985273
4-[3-[cyclopropylmethyl(methyl)amino]-3-oxopropyl]benzoic acid
CID 119181808
3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide
CID 120612535
3-(2-fluorophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 134049964

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide (CID 94158892) is N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide is CN(CC1CC1)C(=O)CCc1ccccc1F.
What is the InChIKey of N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide?
The InChIKey is ZWEAPQGBZXCOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-16(10-11-6-7-11)14(17)9-8-12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide?
N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide has a molecular weight of 235.30 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 94158892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).