3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide

C15H13ClN2O5 — CID 2915297

IUPAC3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Cl
InChIInChI=1S/C15H13ClN2O5/c1-22-13-6-3-9(7-11(13)16)15(19)17-12-5-4-10(18(20)21)8-14(12)23-2/h3-8H,1-2H3,(H,17,19)
InChIKeyTWTXGQHCNXRBTJ-UHFFFAOYSA-N
MW336.73 g/mol
LogP3.52
Rot. Bonds5

About 3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide

3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide (PubChem CID 2915297) has the molecular formula C15H13ClN2O5 and a molecular weight of 336.73 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide
PubChem CID2915297
Molecular FormulaC15H13ClN2O5
Molecular Weight336.73 g/mol
Exact Mass336.05
IUPAC Name3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Cl
InChIInChI=1S/C15H13ClN2O5/c1-22-13-6-3-9(7-11(13)16)15(19)17-12-5-4-10(18(20)21)8-14(12)23-2/h3-8H,1-2H3,(H,17,19)
InChIKeyTWTXGQHCNXRBTJ-UHFFFAOYSA-N
XLogP3.52
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 53.52
H-Bond Donors ≤ 51
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'}

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Related Compounds

1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
4-bromo-N-(2-methoxy-4-nitrophenyl)benzamide
CID 5234028
4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
CID 17153277
N-(2-methoxy-4-nitrophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 60651141
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
3-bromo-4-hexoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 54781642
[3-[(2-methoxy-4-nitrophenyl)carbamoyl]phenyl] acetate
CID 108767397
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 108875488
N-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2896964
3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 2913893
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
4-(butanoylamino)-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2952481

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide (CID 2915297) is 3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide is COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide?
The InChIKey is TWTXGQHCNXRBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5/c1-22-13-6-3-9(7-11(13)16)15(19)17-12-5-4-10(18(20)21)8-14(12)23-2/h3-8H,1-2H3,(H,17,19).
What are the key properties of 3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide?
3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide has a molecular weight of 336.73 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide is sourced from PubChem (CID 2915297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).