3-[(2-iodo-5-nitrobenzoyl)amino]-4-methoxybenzamide

C15H12IN3O5 — CID 55783387

IUPAC3-[(2-iodo-5-nitrobenzoyl)amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C15H12IN3O5/c1-24-13-5-2-8(14(17)20)6-12(13)18-15(21)10-7-9(19(22)23)3-4-11(10)16/h2-7H,1H3,(H2,17,20)(H,18,21)
InChIKeyXQTJNUCPASNMRN-UHFFFAOYSA-N
MW441.18 g/mol
LogP2.56
Rot. Bonds5

About 3-[(2-iodo-5-nitrobenzoyl)amino]-4-methoxybenzamide

3-[(2-iodo-5-nitrobenzoyl)amino]-4-methoxybenzamide (PubChem CID 55783387) has the molecular formula C15H12IN3O5 and a molecular weight of 441.18 g/mol. Its IUPAC name is 3-[(2-iodo-5-nitrobenzoyl)amino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(2-iodo-5-nitrobenzoyl)amino]-4-methoxybenzamide
PubChem CID55783387
Molecular FormulaC15H12IN3O5
Molecular Weight441.18 g/mol
Exact Mass440.98
IUPAC Name3-[(2-iodo-5-nitrobenzoyl)amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C15H12IN3O5/c1-24-13-5-2-8(14(17)20)6-12(13)18-15(21)10-7-9(19(22)23)3-4-11(10)16/h2-7H,1H3,(H2,17,20)(H,18,21)
InChIKeyXQTJNUCPASNMRN-UHFFFAOYSA-N
XLogP2.56
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.18
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide
CID 60619551
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 55374643
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide
CID 844979
1-(2-iodophenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 108869061
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926
3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 1013418
2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide
CID 106685355

Frequently Asked Questions

What is the IUPAC name of 3-[(2-iodo-5-nitrobenzoyl)amino]-4-methoxybenzamide?
The IUPAC name of 3-[(2-iodo-5-nitrobenzoyl)amino]-4-methoxybenzamide (CID 55783387) is 3-[(2-iodo-5-nitrobenzoyl)amino]-4-methoxybenzamide.
What is the SMILES notation for 3-[(2-iodo-5-nitrobenzoyl)amino]-4-methoxybenzamide?
The canonical SMILES for 3-[(2-iodo-5-nitrobenzoyl)amino]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of 3-[(2-iodo-5-nitrobenzoyl)amino]-4-methoxybenzamide?
The InChIKey is XQTJNUCPASNMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O5/c1-24-13-5-2-8(14(17)20)6-12(13)18-15(21)10-7-9(19(22)23)3-4-11(10)16/h2-7H,1H3,(H2,17,20)(H,18,21).
What are the key properties of 3-[(2-iodo-5-nitrobenzoyl)amino]-4-methoxybenzamide?
3-[(2-iodo-5-nitrobenzoyl)amino]-4-methoxybenzamide has a molecular weight of 441.18 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-iodo-5-nitrobenzoyl)amino]-4-methoxybenzamide is sourced from PubChem (CID 55783387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).