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

C24H24ClNO3 — CID 42695710

IUPAC4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide
SMILESCOc1ccc(CN(C(=O)c2ccc(Cl)cc2)C(C)c2ccccc2)cc1OC
InChIInChI=1S/C24H24ClNO3/c1-17(19-7-5-4-6-8-19)26(24(27)20-10-12-21(25)13-11-20)16-18-9-14-22(28-2)23(15-18)29-3/h4-15,17H,16H2,1-3H3
InChIKeyUEBQRGADQMGXNN-UHFFFAOYSA-N
MW409.91 g/mol
LogP5.76
Rot. Bonds7

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

4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide (PubChem CID 42695710) has the molecular formula C24H24ClNO3 and a molecular weight of 409.91 g/mol. Its IUPAC name is 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide
PubChem CID42695710
Molecular FormulaC24H24ClNO3
Molecular Weight409.91 g/mol
Exact Mass409.14
IUPAC Name4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide
SMILESCOc1ccc(CN(C(=O)c2ccc(Cl)cc2)C(C)c2ccccc2)cc1OC
InChIInChI=1S/C24H24ClNO3/c1-17(19-7-5-4-6-8-19)26(24(27)20-10-12-21(25)13-11-20)16-18-9-14-22(28-2)23(15-18)29-3/h4-15,17H,16H2,1-3H3
InChIKeyUEBQRGADQMGXNN-UHFFFAOYSA-N
XLogP5.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.91
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1-phenylethyl)benzamide
CID 42657158
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
N-[(4-chlorophenyl)methyl]-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]propanamide
CID 133237597
N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 71455078
N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 133237469
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide
CID 31827609
2-[2-[(3,4-dimethoxyphenyl)methyl-[(1S)-1-phenylethyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid
CID 110076984
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-phenylpentanamide
CID 55383274
2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 133237445
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
4-chloro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-propan-2-ylbenzamide
CID 46006413
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 110298822

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide (CID 42695710) is 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide is COc1ccc(CN(C(=O)c2ccc(Cl)cc2)C(C)c2ccccc2)cc1OC.
What is the InChIKey of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide?
The InChIKey is UEBQRGADQMGXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO3/c1-17(19-7-5-4-6-8-19)26(24(27)20-10-12-21(25)13-11-20)16-18-9-14-22(28-2)23(15-18)29-3/h4-15,17H,16H2,1-3H3.
What are the key properties of 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide?
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide has a molecular weight of 409.91 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 42695710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).