3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide

C15H19F2NO — CID 86929550

IUPAC3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CN(CC)C(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2NO/c1-4-18(10-11(2)3)15(19)8-6-12-5-7-13(16)14(17)9-12/h5,7,9H,2,4,6,8,10H2,1,3H3
InChIKeyQMCXTGGUHCBXJI-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.32
Rot. Bonds6

About 3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide

3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide (PubChem CID 86929550) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
PubChem CID86929550
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CN(CC)C(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2NO/c1-4-18(10-11(2)3)15(19)8-6-12-5-7-13(16)14(17)9-12/h5,7,9H,2,4,6,8,10H2,1,3H3
InChIKeyQMCXTGGUHCBXJI-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[3-(3,4-difluorophenyl)propanoyl-ethylamino]acetate
CID 61011840
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
CID 86929569
N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide
CID 79204676
2-[3-(3,4-difluorophenyl)propanoyl-prop-2-ynylamino]acetic acid
CID 79280272
methyl 2-[3-(3,4-difluorophenyl)propanoyl-methylamino]acetate
CID 43431151
3-[(3,4-difluorophenyl)methyl]-1,1-diethylurea
CID 115593148
N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide
CID 115176980
2-[4-(difluoromethylsulfonyl)phenyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 84584479
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
N,N-diethyl-2-(N-ethyl-3,4-difluoroanilino)acetamide
CID 78903043
2-[4-(4-chlorophenyl)butanoyl-ethylamino]acetic acid
CID 119205856
N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858762

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide (CID 86929550) is 3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide is C=C(C)CN(CC)C(=O)CCc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The InChIKey is QMCXTGGUHCBXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-4-18(10-11(2)3)15(19)8-6-12-5-7-13(16)14(17)9-12/h5,7,9H,2,4,6,8,10H2,1,3H3.
What are the key properties of 3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide has a molecular weight of 267.32 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-ethyl-N-(2-methylprop-2-enyl)propanamide is sourced from PubChem (CID 86929550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).