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

C17H17Cl2NO2 — CID 18118556

IUPAC2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-11-7-8-15(22-3)12(9-11)10-20(2)17(21)13-5-4-6-14(18)16(13)19/h4-9H,10H2,1-3H3
InChIKeyOUKSMBGKCKBZSA-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.58
Rot. Bonds4

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

2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide (PubChem CID 18118556) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
PubChem CID18118556
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-11-7-8-15(22-3)12(9-11)10-20(2)17(21)13-5-4-6-14(18)16(13)19/h4-9H,10H2,1-3H3
InChIKeyOUKSMBGKCKBZSA-UHFFFAOYSA-N
XLogP4.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide
CID 32760905
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
2,3-dichloro-N-[1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55739251
1-(2,3-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527350
5-iodo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 78948437
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone
CID 114968572
methyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate
CID 37417321
5-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22830645
2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095840
2,3-dichloro-N-[(2,5-dimethylphenyl)methyl]benzamide
CID 23019861
3-(2,3-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 55684776

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide (CID 18118556) is 2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide is COc1ccc(C)cc1CN(C)C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide?
The InChIKey is OUKSMBGKCKBZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-11-7-8-15(22-3)12(9-11)10-20(2)17(21)13-5-4-6-14(18)16(13)19/h4-9H,10H2,1-3H3.
What are the key properties of 2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide?
2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide has a molecular weight of 338.23 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 18118556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).