N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide

C19H22FNO3 — CID 127121094

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
SMILESCOc1ccc(C(C)NC(=O)CCc2ccccc2F)cc1OC
InChIInChI=1S/C19H22FNO3/c1-13(15-8-10-17(23-2)18(12-15)24-3)21-19(22)11-9-14-6-4-5-7-16(14)20/h4-8,10,12-13H,9,11H2,1-3H3,(H,21,22)
InChIKeyARTMZQSSVTYKGE-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.65
Rot. Bonds7

About N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide (PubChem CID 127121094) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
PubChem CID127121094
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
SMILESCOc1ccc(C(C)NC(=O)CCc2ccccc2F)cc1OC
InChIInChI=1S/C19H22FNO3/c1-13(15-8-10-17(23-2)18(12-15)24-3)21-19(22)11-9-14-6-4-5-7-16(14)20/h4-8,10,12-13H,9,11H2,1-3H3,(H,21,22)
InChIKeyARTMZQSSVTYKGE-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127121205
3-(2-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 46674104
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46664023
3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide
CID 55797839
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 94139427
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 43886279
3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127122091
6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 61166957
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
CID 42563500
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide (CID 127121094) is N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide is COc1ccc(C(C)NC(=O)CCc2ccccc2F)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is ARTMZQSSVTYKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-13(15-8-10-17(23-2)18(12-15)24-3)21-19(22)11-9-14-6-4-5-7-16(14)20/h4-8,10,12-13H,9,11H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 331.39 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 127121094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).