2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide

C17H17ClN2O5 — CID 7936274

IUPAC2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1OC
InChIInChI=1S/C17H17ClN2O5/c1-19(10-11-5-4-6-15(24-2)16(11)25-3)17(21)13-8-7-12(20(22)23)9-14(13)18/h4-9H,10H2,1-3H3
InChIKeyVWRMMLBLRIGHNG-UHFFFAOYSA-N
MW364.79 g/mol
LogP3.54
Rot. Bonds6

About 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide

2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide (PubChem CID 7936274) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
PubChem CID7936274
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC Name2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1OC
InChIInChI=1S/C17H17ClN2O5/c1-19(10-11-5-4-6-15(24-2)16(11)25-3)17(21)13-8-7-12(20(22)23)9-14(13)18/h4-9H,10H2,1-3H3
InChIKeyVWRMMLBLRIGHNG-UHFFFAOYSA-N
XLogP3.54
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013
N-[(2-chloro-5-nitrophenyl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 71901006
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide
CID 8857208
2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106685743
N-[(2-chloro-5-nitrophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 51268613
4-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 18112121
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(dimethylamino)-N-methyl-5-nitrobenzamide
CID 33163705
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 9196683
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18112106
N-[(2-chloro-5-nitrophenyl)methyl]-2,4-difluoro-N-methylbenzamide
CID 51298245
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide (CID 7936274) is 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide is COc1cccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1OC.
What is the InChIKey of 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide?
The InChIKey is VWRMMLBLRIGHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c1-19(10-11-5-4-6-15(24-2)16(11)25-3)17(21)13-8-7-12(20(22)23)9-14(13)18/h4-9H,10H2,1-3H3.
What are the key properties of 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide?
2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide has a molecular weight of 364.79 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide is sourced from PubChem (CID 7936274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).