3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide

C24H24ClNO4 — CID 100750097

IUPAC3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2cccc(OCc3ccccc3Cl)c2)cc1OC
InChIInChI=1S/C24H24ClNO4/c1-26(15-17-11-12-22(28-2)23(13-17)29-3)24(27)18-8-6-9-20(14-18)30-16-19-7-4-5-10-21(19)25/h4-14H,15-16H2,1-3H3
InChIKeyNRVPBYVNVJQTJR-UHFFFAOYSA-N
MW425.91 g/mol
LogP5.21
Rot. Bonds8

About 3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide

3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 100750097) has the molecular formula C24H24ClNO4 and a molecular weight of 425.91 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
PubChem CID100750097
Molecular FormulaC24H24ClNO4
Molecular Weight425.91 g/mol
Exact Mass425.14
IUPAC Name3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2cccc(OCc3ccccc3Cl)c2)cc1OC
InChIInChI=1S/C24H24ClNO4/c1-26(15-17-11-12-22(28-2)23(13-17)29-3)24(27)18-8-6-9-20(14-18)30-16-19-7-4-5-10-21(19)25/h4-14H,15-16H2,1-3H3
InChIKeyNRVPBYVNVJQTJR-UHFFFAOYSA-N
XLogP5.21
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.91
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-phenoxybenzamide
CID 17442743
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134
N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide
CID 100750102
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 78796913
3-[[(3,4-dimethoxybenzoyl)-methylamino]methyl]benzoic acid
CID 59190884
N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 112790335
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 18111551
N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 112790343
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
3-methoxy-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095830

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide (CID 100750097) is 3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2cccc(OCc3ccccc3Cl)c2)cc1OC.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is NRVPBYVNVJQTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO4/c1-26(15-17-11-12-22(28-2)23(13-17)29-3)24(27)18-8-6-9-20(14-18)30-16-19-7-4-5-10-21(19)25/h4-14H,15-16H2,1-3H3.
What are the key properties of 3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide?
3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 425.91 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 100750097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).