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

C19H22FNO3 — CID 18118791

IUPAC3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
SMILESCOc1cccc(CCC(=O)NCCc2cccc(F)c2)c1OC
InChIInChI=1S/C19H22FNO3/c1-23-17-8-4-6-15(19(17)24-2)9-10-18(22)21-12-11-14-5-3-7-16(20)13-14/h3-8,13H,9-12H2,1-2H3,(H,21,22)
InChIKeyMYDQAEZSNCLVQP-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.13
Rot. Bonds8

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

3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide (PubChem CID 18118791) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
PubChem CID18118791
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
SMILESCOc1cccc(CCC(=O)NCCc2cccc(F)c2)c1OC
InChIInChI=1S/C19H22FNO3/c1-23-17-8-4-6-15(19(17)24-2)9-10-18(22)21-12-11-14-5-3-7-16(20)13-14/h3-8,13H,9-12H2,1-2H3,(H,21,22)
InChIKeyMYDQAEZSNCLVQP-UHFFFAOYSA-N
XLogP3.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 18118760
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500
3-(2,3-dimethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
CID 9428782
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113101954
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
2-(5-fluoro-2-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 110767149
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417
3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9427530
3-(2,3-dimethoxyphenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9481076
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41365243
N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide
CID 18118508
N-[(3-fluorophenyl)methyl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
CID 71946834

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide (CID 18118791) is 3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide is COc1cccc(CCC(=O)NCCc2cccc(F)c2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide?
The InChIKey is MYDQAEZSNCLVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-23-17-8-4-6-15(19(17)24-2)9-10-18(22)21-12-11-14-5-3-7-16(20)13-14/h3-8,13H,9-12H2,1-2H3,(H,21,22).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide?
3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide has a molecular weight of 331.39 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 18118791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).