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

C23H22ClNO3 — CID 171987202

IUPAC2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide
SMILESCOc1ccc(C(Cc2ccccc2)NC(=O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C23H22ClNO3/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)
InChIKeyVFUQKDCZXMDIGF-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.07
Rot. Bonds7

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

2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide (PubChem CID 171987202) has the molecular formula C23H22ClNO3 and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide
PubChem CID171987202
Molecular FormulaC23H22ClNO3
Molecular Weight395.89 g/mol
Exact Mass395.13
IUPAC Name2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide
SMILESCOc1ccc(C(Cc2ccccc2)NC(=O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C23H22ClNO3/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)
InChIKeyVFUQKDCZXMDIGF-UHFFFAOYSA-N
XLogP5.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.07
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-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-4-fluorobenzamide
CID 4318672
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100766332
N-[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]-3-iodobenzamide
CID 97037048
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-chloro-N-[(1S)-1-(2-methoxyphenyl)propyl]benzamide
CID 38839315
2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 144901028
2-chloro-N-[3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 55383431
3-(benzhydrylamino)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 69225556
(3R)-3-(benzhydrylamino)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 69230254

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide?
The IUPAC name of 2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide (CID 171987202) is 2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide is COc1ccc(C(Cc2ccccc2)NC(=O)c2ccccc2Cl)cc1OC.
What is the InChIKey of 2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide?
The InChIKey is VFUQKDCZXMDIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO3/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 2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide?
2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide has a molecular weight of 395.89 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide is sourced from PubChem (CID 171987202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).