2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide

C16H22F2N2O — CID 78897751

IUPAC2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide
SMILESCCN(CC(=O)N(C)C(C)c1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C16H22F2N2O/c1-4-20(13-6-7-13)10-16(21)19(3)11(2)12-5-8-14(17)15(18)9-12/h5,8-9,11,13H,4,6-7,10H2,1-3H3
InChIKeyIKVIMNKPAIWPSI-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.97
Rot. Bonds6

About 2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide

2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide (PubChem CID 78897751) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide
PubChem CID78897751
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide
SMILESCCN(CC(=O)N(C)C(C)c1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C16H22F2N2O/c1-4-20(13-6-7-13)10-16(21)19(3)11(2)12-5-8-14(17)15(18)9-12/h5,8-9,11,13H,4,6-7,10H2,1-3H3
InChIKeyIKVIMNKPAIWPSI-UHFFFAOYSA-N
XLogP2.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
CID 86918334
2-[cyclopropyl(ethyl)amino]-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 97099231
N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide
CID 111331706
1-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119906682
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-methylpropylsulfonyl)acetamide
CID 86993538
2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide
CID 78900392
2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 110898003
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119701530
N-[1-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62732806
2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide
CID 65230074
N-butan-2-yl-2-[4-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 78898037
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 134026968

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide (CID 78897751) is 2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide is CCN(CC(=O)N(C)C(C)c1ccc(F)c(F)c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is IKVIMNKPAIWPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-4-20(13-6-7-13)10-16(21)19(3)11(2)12-5-8-14(17)15(18)9-12/h5,8-9,11,13H,4,6-7,10H2,1-3H3.
What are the key properties of 2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide?
2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 296.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 78897751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).