N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide

C23H22FNO3 — CID 4318672

IUPACN-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide
SMILESCOc1ccc(C(Cc2ccccc2)NC(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C23H22FNO3/c1-27-21-13-10-18(15-22(21)28-2)20(14-16-6-4-3-5-7-16)25-23(26)17-8-11-19(24)12-9-17/h3-13,15,20H,14H2,1-2H3,(H,25,26)
InChIKeyJNGVQDDAPYEGLE-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.56
Rot. Bonds7

About N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide

N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide (PubChem CID 4318672) has the molecular formula C23H22FNO3 and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide
PubChem CID4318672
Molecular FormulaC23H22FNO3
Molecular Weight379.43 g/mol
Exact Mass379.16
IUPAC NameN-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide
SMILESCOc1ccc(C(Cc2ccccc2)NC(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C23H22FNO3/c1-27-21-13-10-18(15-22(21)28-2)20(14-16-6-4-3-5-7-16)25-23(26)17-8-11-19(24)12-9-17/h3-13,15,20H,14H2,1-2H3,(H,25,26)
InChIKeyJNGVQDDAPYEGLE-UHFFFAOYSA-N
XLogP4.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2-fluorobenzamide
CID 171987201
N-[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]-3-iodobenzamide
CID 97037048
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301
2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide
CID 171987202
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
[1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105192119
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-fluorobenzamide
CID 150964230

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide (CID 4318672) is N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide is COc1ccc(C(Cc2ccccc2)NC(=O)c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide?
The InChIKey is JNGVQDDAPYEGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO3/c1-27-21-13-10-18(15-22(21)28-2)20(14-16-6-4-3-5-7-16)25-23(26)17-8-11-19(24)12-9-17/h3-13,15,20H,14H2,1-2H3,(H,25,26).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide?
N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide has a molecular weight of 379.43 g/mol, XLogP of 4.56, 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)-2-phenylethyl]-4-fluorobenzamide is sourced from PubChem (CID 4318672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).