2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide

C22H17ClN2O6 — CID 2558490

IUPAC2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1
InChIInChI=1S/C22H17ClN2O6/c1-30-14-8-10-18(20(12-14)31-2)24-22(27)16-6-4-3-5-15(16)21(26)13-7-9-17(23)19(11-13)25(28)29/h3-12H,1-2H3,(H,24,27)
InChIKeyNAFSJHOGZMEYCA-UHFFFAOYSA-N
MW440.84 g/mol
LogP4.75
Rot. Bonds7

About 2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide

2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide (PubChem CID 2558490) has the molecular formula C22H17ClN2O6 and a molecular weight of 440.84 g/mol. Its IUPAC name is 2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide
PubChem CID2558490
Molecular FormulaC22H17ClN2O6
Molecular Weight440.84 g/mol
Exact Mass440.08
IUPAC Name2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1
InChIInChI=1S/C22H17ClN2O6/c1-30-14-8-10-18(20(12-14)31-2)24-22(27)16-6-4-3-5-15(16)21(26)13-7-9-17(23)19(11-13)25(28)29/h3-12H,1-2H3,(H,24,27)
InChIKeyNAFSJHOGZMEYCA-UHFFFAOYSA-N
XLogP4.75
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.84
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-3-nitrobenzamide
CID 17111361
4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
CID 3101370
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
2-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide
CID 3358329
2-(4-chloro-3-nitrobenzoyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 5001332
2,4-dimethoxy-N-(2-nitrophenyl)benzamide
CID 5149681
N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide
CID 18271698
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide
CID 10064754
3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide
CID 3539530
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 2616869

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide?
The IUPAC name of 2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide (CID 2558490) is 2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide.
What is the SMILES notation for 2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide?
The canonical SMILES for 2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1.
What is the InChIKey of 2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide?
The InChIKey is NAFSJHOGZMEYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O6/c1-30-14-8-10-18(20(12-14)31-2)24-22(27)16-6-4-3-5-15(16)21(26)13-7-9-17(23)19(11-13)25(28)29/h3-12H,1-2H3,(H,24,27).
What are the key properties of 2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide?
2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide has a molecular weight of 440.84 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide is sourced from PubChem (CID 2558490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).