3-methoxy-N-[2-[4-[(2-nitrophenyl)carbamoyl]phenyl]-2-oxoethyl]benzamide

C23H19N3O6 — CID 141267218

IUPAC3-methoxy-N-[2-[4-[(2-nitrophenyl)carbamoyl]phenyl]-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)c2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])cc2)c1
InChIInChI=1S/C23H19N3O6/c1-32-18-6-4-5-17(13-18)22(28)24-14-21(27)15-9-11-16(12-10-15)23(29)25-19-7-2-3-8-20(19)26(30)31/h2-13H,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyBLKGSAWVKNNRMZ-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.47
Rot. Bonds8

About 3-methoxy-N-[2-[4-[(2-nitrophenyl)carbamoyl]phenyl]-2-oxoethyl]benzamide

3-methoxy-N-[2-[4-[(2-nitrophenyl)carbamoyl]phenyl]-2-oxoethyl]benzamide (PubChem CID 141267218) has the molecular formula C23H19N3O6 and a molecular weight of 433.42 g/mol. Its IUPAC name is 3-methoxy-N-[2-[4-[(2-nitrophenyl)carbamoyl]phenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[4-[(2-nitrophenyl)carbamoyl]phenyl]-2-oxoethyl]benzamide
PubChem CID141267218
Molecular FormulaC23H19N3O6
Molecular Weight433.42 g/mol
Exact Mass433.13
IUPAC Name3-methoxy-N-[2-[4-[(2-nitrophenyl)carbamoyl]phenyl]-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)c2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])cc2)c1
InChIInChI=1S/C23H19N3O6/c1-32-18-6-4-5-17(13-18)22(28)24-14-21(27)15-9-11-16(12-10-15)23(29)25-19-7-2-3-8-20(19)26(30)31/h2-13H,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyBLKGSAWVKNNRMZ-UHFFFAOYSA-N
XLogP3.47
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
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

3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide
CID 9278422
N-(2-nitrophenyl)-3-phenylmethoxybenzamide
CID 23854961
N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 31983699
3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278183
2,4-dimethoxy-N-(2-nitrophenyl)benzamide
CID 5149681
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 42012447
5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide
CID 19412725
4-iodo-N-(2-nitrophenyl)benzamide
CID 2889506
3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide
CID 4992628
3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057632
N-(4-methoxy-2-nitrophenyl)-3-methylsulfanylbenzamide
CID 7565243
4-cyano-N-(2-nitrophenyl)benzamide
CID 103601565

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[4-[(2-nitrophenyl)carbamoyl]phenyl]-2-oxoethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[4-[(2-nitrophenyl)carbamoyl]phenyl]-2-oxoethyl]benzamide (CID 141267218) is 3-methoxy-N-[2-[4-[(2-nitrophenyl)carbamoyl]phenyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[4-[(2-nitrophenyl)carbamoyl]phenyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[4-[(2-nitrophenyl)carbamoyl]phenyl]-2-oxoethyl]benzamide is COc1cccc(C(=O)NCC(=O)c2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])cc2)c1.
What is the InChIKey of 3-methoxy-N-[2-[4-[(2-nitrophenyl)carbamoyl]phenyl]-2-oxoethyl]benzamide?
The InChIKey is BLKGSAWVKNNRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O6/c1-32-18-6-4-5-17(13-18)22(28)24-14-21(27)15-9-11-16(12-10-15)23(29)25-19-7-2-3-8-20(19)26(30)31/h2-13H,14H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 3-methoxy-N-[2-[4-[(2-nitrophenyl)carbamoyl]phenyl]-2-oxoethyl]benzamide?
3-methoxy-N-[2-[4-[(2-nitrophenyl)carbamoyl]phenyl]-2-oxoethyl]benzamide has a molecular weight of 433.42 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[4-[(2-nitrophenyl)carbamoyl]phenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 141267218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).