2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide

C20H17ClN2O4 — CID 8857208

IUPAC2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2c1
InChIInChI=1S/C20H17ClN2O4/c1-22(20(24)18-8-6-16(23(25)26)11-19(18)21)12-13-3-4-15-10-17(27-2)7-5-14(15)9-13/h3-11H,12H2,1-2H3
InChIKeyCNMBJCJVGIKMNS-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.68
Rot. Bonds5

About 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide

2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide (PubChem CID 8857208) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide
PubChem CID8857208
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2c1
InChIInChI=1S/C20H17ClN2O4/c1-22(20(24)18-8-6-16(23(25)26)11-19(18)21)12-13-3-4-15-10-17(27-2)7-5-14(15)9-13/h3-11H,12H2,1-2H3
InChIKeyCNMBJCJVGIKMNS-UHFFFAOYSA-N
XLogP4.68
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-5-nitrophenyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylthiourea
CID 9284049
N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
CID 7925766
N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
CID 18116967
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methoxy-5-nitrophenoxy)-N-methylacetamide
CID 8566464
2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 43564505
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-5-nitrobenzamide
CID 78801742
2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
CID 7936274
N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide
CID 9482656
4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide
CID 9482800
2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide
CID 17499196
2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 18115021
2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide
CID 46404947

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide (CID 8857208) is 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide is COc1ccc2cc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide?
The InChIKey is CNMBJCJVGIKMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-22(20(24)18-8-6-16(23(25)26)11-19(18)21)12-13-3-4-15-10-17(27-2)7-5-14(15)9-13/h3-11H,12H2,1-2H3.
What are the key properties of 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide?
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide has a molecular weight of 384.82 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide is sourced from PubChem (CID 8857208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).