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

C23H22FNO3 — CID 171987201

IUPACN-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2-fluorobenzamide
SMILESCOc1ccc(C(Cc2ccccc2)NC(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C23H22FNO3/c1-27-21-13-12-17(15-22(21)28-2)20(14-16-8-4-3-5-9-16)25-23(26)18-10-6-7-11-19(18)24/h3-13,15,20H,14H2,1-2H3,(H,25,26)
InChIKeyPKGQQYRLVSRXBN-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.56
Rot. Bonds7

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

N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2-fluorobenzamide (PubChem CID 171987201) 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]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2-fluorobenzamide
PubChem CID171987201
Molecular FormulaC23H22FNO3
Molecular Weight379.43 g/mol
Exact Mass379.16
IUPAC NameN-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2-fluorobenzamide
SMILESCOc1ccc(C(Cc2ccccc2)NC(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C23H22FNO3/c1-27-21-13-12-17(15-22(21)28-2)20(14-16-8-4-3-5-9-16)25-23(26)18-10-6-7-11-19(18)24/h3-13,15,20H,14H2,1-2H3,(H,25,26)
InChIKeyPKGQQYRLVSRXBN-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

2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide
CID 171987202
(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-fluorobenzoyl)amino]propanoate
CID 6926618
N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide
CID 4318672
N-[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]-3-iodobenzamide
CID 97037048
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 90613273
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301
2-benzylsulfanyl-N-[1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 132666695
5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide
CID 56728485
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
2-fluoro-N-(1-phenylbutan-2-yl)benzamide
CID 2973548
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylethyl]-2-ethyl-4,5-dimethoxybenzamide
CID 56728576
[1-(3-fluoro-4-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105195319

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2-fluorobenzamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2-fluorobenzamide (CID 171987201) is N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2-fluorobenzamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2-fluorobenzamide is COc1ccc(C(Cc2ccccc2)NC(=O)c2ccccc2F)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2-fluorobenzamide?
The InChIKey is PKGQQYRLVSRXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO3/c1-27-21-13-12-17(15-22(21)28-2)20(14-16-8-4-3-5-9-16)25-23(26)18-10-6-7-11-19(18)24/h3-13,15,20H,14H2,1-2H3,(H,25,26).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2-fluorobenzamide?
N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2-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]-2-fluorobenzamide is sourced from PubChem (CID 171987201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).