2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide

C17H17Cl2NO3 — CID 18112013

IUPAC2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(Cl)ccc2Cl)c1OC
InChIInChI=1S/C17H17Cl2NO3/c1-20(17(21)13-9-12(18)7-8-14(13)19)10-11-5-4-6-15(22-2)16(11)23-3/h4-9H,10H2,1-3H3
InChIKeyXPBWOBGWBKMKAA-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.28
Rot. Bonds5

About 2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide

2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 18112013) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
PubChem CID18112013
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(Cl)ccc2Cl)c1OC
InChIInChI=1S/C17H17Cl2NO3/c1-20(17(21)13-9-12(18)7-8-14(13)19)10-11-5-4-6-15(22-2)16(11)23-3/h4-9H,10H2,1-3H3
InChIKeyXPBWOBGWBKMKAA-UHFFFAOYSA-N
XLogP4.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106685743
2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
CID 7936274
4-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 18112121
5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 61111701
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80617794
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18112106
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
CID 18131988
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898
5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18112110
N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide
CID 32760905

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide (CID 18112013) is 2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide is COc1cccc(CN(C)C(=O)c2cc(Cl)ccc2Cl)c1OC.
What is the InChIKey of 2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is XPBWOBGWBKMKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-20(17(21)13-9-12(18)7-8-14(13)19)10-11-5-4-6-15(22-2)16(11)23-3/h4-9H,10H2,1-3H3.
What are the key properties of 2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide?
2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 354.23 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 18112013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).