3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide

C21H24FNO2 — CID 86956297

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
SMILESCOc1ccc(CCC(=O)NC(c2ccccc2)C2CC2C)cc1F
InChIInChI=1S/C21H24FNO2/c1-14-12-17(14)21(16-6-4-3-5-7-16)23-20(24)11-9-15-8-10-19(25-2)18(22)13-15/h3-8,10,13-14,17,21H,9,11-12H2,1-2H3,(H,23,24)
InChIKeyAZNBDGJSVOQHGJ-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.28
Rot. Bonds7

About 3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide

3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide (PubChem CID 86956297) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
PubChem CID86956297
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
SMILESCOc1ccc(CCC(=O)NC(c2ccccc2)C2CC2C)cc1F
InChIInChI=1S/C21H24FNO2/c1-14-12-17(14)21(16-6-4-3-5-7-16)23-20(24)11-9-15-8-10-19(25-2)18(22)13-15/h3-8,10,13-14,17,21H,9,11-12H2,1-2H3,(H,23,24)
InChIKeyAZNBDGJSVOQHGJ-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51315396
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
4-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229751
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide
CID 51275993
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367699
3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide
CID 134055920
3-(3-fluoro-4-methoxyphenyl)propanoic acid;propanedioic acid
CID 67624266
3-(4-methoxy-3-methylphenyl)-N-(1-phenylethyl)propanamide
CID 133161337
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 51492377
(3S)-3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 51519338
3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 45461382

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide (CID 86956297) is 3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide is COc1ccc(CCC(=O)NC(c2ccccc2)C2CC2C)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide?
The InChIKey is AZNBDGJSVOQHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-14-12-17(14)21(16-6-4-3-5-7-16)23-20(24)11-9-15-8-10-19(25-2)18(22)13-15/h3-8,10,13-14,17,21H,9,11-12H2,1-2H3,(H,23,24).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide?
3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide has a molecular weight of 341.43 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide is sourced from PubChem (CID 86956297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).