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

C25H26FNO3 — CID 46820318

IUPACN-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
SMILESCOc1ccc(CC(NC(=O)CCc2ccccc2F)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H26FNO3/c1-29-21-12-7-18(8-13-21)17-24(20-9-14-22(30-2)15-10-20)27-25(28)16-11-19-5-3-4-6-23(19)26/h3-10,12-15,24H,11,16-17H2,1-2H3,(H,27,28)
InChIKeyUBUWIGMQEYWBSL-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.88
Rot. Bonds9

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

N-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide (PubChem CID 46820318) has the molecular formula C25H26FNO3 and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
PubChem CID46820318
Molecular FormulaC25H26FNO3
Molecular Weight407.49 g/mol
Exact Mass407.19
IUPAC NameN-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
SMILESCOc1ccc(CC(NC(=O)CCc2ccccc2F)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H26FNO3/c1-29-21-12-7-18(8-13-21)17-24(20-9-14-22(30-2)15-10-20)27-25(28)16-11-19-5-3-4-6-23(19)26/h3-10,12-15,24H,11,16-17H2,1-2H3,(H,27,28)
InChIKeyUBUWIGMQEYWBSL-UHFFFAOYSA-N
XLogP4.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306374
4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 120561463
2-amino-N-[1-(4-methoxyphenyl)-2-phenylethyl]acetamide
CID 67761066
3-[3-(2-fluorophenyl)propanoylamino]-3-phenylpropanoic acid
CID 45461619
3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid
CID 45436465
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
N-[2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 143753176
methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate
CID 134015771
N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 9451408
(2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306372
4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201187
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 127121094

Frequently Asked Questions

What is the IUPAC name of N-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide (CID 46820318) is N-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide is COc1ccc(CC(NC(=O)CCc2ccccc2F)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is UBUWIGMQEYWBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO3/c1-29-21-12-7-18(8-13-21)17-24(20-9-14-22(30-2)15-10-20)27-25(28)16-11-19-5-3-4-6-23(19)26/h3-10,12-15,24H,11,16-17H2,1-2H3,(H,27,28).
What are the key properties of N-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide?
N-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 407.49 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 46820318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).