N-[3-(ethylcarbamoylamino)phenyl]-2-iodo-4-nitrobenzamide

C16H15IN4O4 — CID 60622962

IUPACN-[3-(ethylcarbamoylamino)phenyl]-2-iodo-4-nitrobenzamide
SMILESCCNC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1
InChIInChI=1S/C16H15IN4O4/c1-2-18-16(23)20-11-5-3-4-10(8-11)19-15(22)13-7-6-12(21(24)25)9-14(13)17/h3-9H,2H2,1H3,(H,19,22)(H2,18,20,23)
InChIKeyXYNMSKRSZMTCAV-UHFFFAOYSA-N
MW454.22 g/mol
LogP3.59
Rot. Bonds5

About N-[3-(ethylcarbamoylamino)phenyl]-2-iodo-4-nitrobenzamide

N-[3-(ethylcarbamoylamino)phenyl]-2-iodo-4-nitrobenzamide (PubChem CID 60622962) has the molecular formula C16H15IN4O4 and a molecular weight of 454.22 g/mol. Its IUPAC name is N-[3-(ethylcarbamoylamino)phenyl]-2-iodo-4-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(ethylcarbamoylamino)phenyl]-2-iodo-4-nitrobenzamide
PubChem CID60622962
Molecular FormulaC16H15IN4O4
Molecular Weight454.22 g/mol
Exact Mass454.01
IUPAC NameN-[3-(ethylcarbamoylamino)phenyl]-2-iodo-4-nitrobenzamide
SMILESCCNC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1
InChIInChI=1S/C16H15IN4O4/c1-2-18-16(23)20-11-5-3-4-10(8-11)19-15(22)13-7-6-12(21(24)25)9-14(13)17/h3-9H,2H2,1H3,(H,19,22)(H2,18,20,23)
InChIKeyXYNMSKRSZMTCAV-UHFFFAOYSA-N
XLogP3.59
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.22
LogP ≤ 53.59
H-Bond Donors ≤ 53
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'}

Analyze N-[3-(ethylcarbamoylamino)phenyl]-2-iodo-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
CID 38887087
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 60619486
2-iodo-N-[2-(methylamino)ethyl]-4-nitrobenzamide
CID 119504337
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-[3-(aminomethyl)pentan-3-yl]-2-iodo-4-nitrobenzamide
CID 119572047
1-(3-nitrophenyl)-3-[2-(propylamino)ethyl]urea
CID 55100826
N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 51150163
N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide
CID 55757498
1-ethyl-3-(2-methyl-5-nitrophenyl)urea
CID 103600891
1-(3-hydroxypentyl)-3-(3-nitrophenyl)urea
CID 115701849
2-amino-N-ethyl-4-nitrobenzamide
CID 71534016

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylcarbamoylamino)phenyl]-2-iodo-4-nitrobenzamide?
The IUPAC name of N-[3-(ethylcarbamoylamino)phenyl]-2-iodo-4-nitrobenzamide (CID 60622962) is N-[3-(ethylcarbamoylamino)phenyl]-2-iodo-4-nitrobenzamide.
What is the SMILES notation for N-[3-(ethylcarbamoylamino)phenyl]-2-iodo-4-nitrobenzamide?
The canonical SMILES for N-[3-(ethylcarbamoylamino)phenyl]-2-iodo-4-nitrobenzamide is CCNC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1.
What is the InChIKey of N-[3-(ethylcarbamoylamino)phenyl]-2-iodo-4-nitrobenzamide?
The InChIKey is XYNMSKRSZMTCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN4O4/c1-2-18-16(23)20-11-5-3-4-10(8-11)19-15(22)13-7-6-12(21(24)25)9-14(13)17/h3-9H,2H2,1H3,(H,19,22)(H2,18,20,23).
What are the key properties of N-[3-(ethylcarbamoylamino)phenyl]-2-iodo-4-nitrobenzamide?
N-[3-(ethylcarbamoylamino)phenyl]-2-iodo-4-nitrobenzamide has a molecular weight of 454.22 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylcarbamoylamino)phenyl]-2-iodo-4-nitrobenzamide is sourced from PubChem (CID 60622962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).