N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide

C18H16IN3O4 — CID 55786243

IUPACN-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C18H16IN3O4/c1-10-2-3-11(17(23)20-12-4-5-12)8-16(10)21-18(24)14-9-13(22(25)26)6-7-15(14)19/h2-3,6-9,12H,4-5H2,1H3,(H,20,23)(H,21,24)
InChIKeyCGEOYJDJJYGAOW-UHFFFAOYSA-N
MW465.25 g/mol
LogP3.65
Rot. Bonds5

About N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide

N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide (PubChem CID 55786243) has the molecular formula C18H16IN3O4 and a molecular weight of 465.25 g/mol. Its IUPAC name is N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide
PubChem CID55786243
Molecular FormulaC18H16IN3O4
Molecular Weight465.25 g/mol
Exact Mass465.02
IUPAC NameN-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C18H16IN3O4/c1-10-2-3-11(17(23)20-12-4-5-12)8-16(10)21-18(24)14-9-13(22(25)26)6-7-15(14)19/h2-3,6-9,12H,4-5H2,1H3,(H,20,23)(H,21,24)
InChIKeyCGEOYJDJJYGAOW-UHFFFAOYSA-N
XLogP3.65
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.25
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclopropyl-4-methyl-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]benzamide
CID 55786398
N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
CID 38898747
N-(4-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide
CID 43317546
N-cyclobutyl-2-iodo-5-nitrobenzamide
CID 62416139
2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide
CID 63327531
N-cyclopropyl-4-methyl-3-[[5-(4-methylpiperidin-1-yl)-2-nitrobenzoyl]amino]benzamide
CID 66918905
2-iodo-N-(3-methoxycyclobutyl)-5-nitrobenzamide
CID 104578707
N-cyclopentyl-N'-(2-methyl-5-nitrophenyl)oxamide
CID 18588885
N-(3-hydroxycyclohexyl)-2-iodo-5-nitrobenzamide
CID 60978079
3-[(2-iodo-5-nitrobenzoyl)amino]-4-methoxybenzamide
CID 55783387
N-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide
CID 126649145
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide (CID 55786243) is N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide?
The InChIKey is CGEOYJDJJYGAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16IN3O4/c1-10-2-3-11(17(23)20-12-4-5-12)8-16(10)21-18(24)14-9-13(22(25)26)6-7-15(14)19/h2-3,6-9,12H,4-5H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide?
N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide has a molecular weight of 465.25 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide is sourced from PubChem (CID 55786243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).