5-chloro-3-iodo-2-nitrobenzamide

C7H4ClIN2O3 — CID 171005064

IUPAC5-chloro-3-iodo-2-nitrobenzamide
SMILESNC(=O)c1cc(Cl)cc(I)c1[N+](=O)[O-]
InChIInChI=1S/C7H4ClIN2O3/c8-3-1-4(7(10)12)6(11(13)14)5(9)2-3/h1-2H,(H2,10,12)
InChIKeyKLULKVVJNPNWKW-UHFFFAOYSA-N
MW326.48 g/mol
LogP1.95
Rot. Bonds2

About 5-chloro-3-iodo-2-nitrobenzamide

5-chloro-3-iodo-2-nitrobenzamide (PubChem CID 171005064) has the molecular formula C7H4ClIN2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is 5-chloro-3-iodo-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-3-iodo-2-nitrobenzamide
PubChem CID171005064
Molecular FormulaC7H4ClIN2O3
Molecular Weight326.48 g/mol
Exact Mass325.90
IUPAC Name5-chloro-3-iodo-2-nitrobenzamide
SMILESNC(=O)c1cc(Cl)cc(I)c1[N+](=O)[O-]
InChIInChI=1S/C7H4ClIN2O3/c8-3-1-4(7(10)12)6(11(13)14)5(9)2-3/h1-2H,(H2,10,12)
InChIKeyKLULKVVJNPNWKW-UHFFFAOYSA-N
XLogP1.95
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-chloro-3-iodo-2-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

2-chloro-4-iodo-5-nitrobenzamide
CID 171004738
4-chloro-5-iodo-2-nitrobenzamide
CID 171004894
2-chloro-5-iodo-4-nitrobenzamide
CID 171004893
5-chloro-1-(difluoromethyl)-3-iodo-2-nitrobenzene
CID 171004954
1-(3-bromo-5-chloro-2-nitrophenyl)ethanone
CID 131491583
3,5-dichloro-4-nitrobenzamide
CID 121228420
3-(2,3-dicarbamoylphenyl)-4,5-dinitrobenzene-1,2-dicarboxamide
CID 87891854
4,5-dichloro-2-nitrobenzamide
CID 69073651
3-bromo-5-methyl-2-nitrobenzamide
CID 130924275
4-iodo-3-nitro-2-(trifluoromethyl)benzamide
CID 171018537
2,3-bis(2-chloro-4-nitrophenyl)benzene-1,4-dicarboxamide
CID 175916041
2,4-dichloro-5-methoxy-3-nitrobenzamide
CID 175668713

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-iodo-2-nitrobenzamide?
The IUPAC name of 5-chloro-3-iodo-2-nitrobenzamide (CID 171005064) is 5-chloro-3-iodo-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-3-iodo-2-nitrobenzamide?
The canonical SMILES for 5-chloro-3-iodo-2-nitrobenzamide is NC(=O)c1cc(Cl)cc(I)c1[N+](=O)[O-].
What is the InChIKey of 5-chloro-3-iodo-2-nitrobenzamide?
The InChIKey is KLULKVVJNPNWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN2O3/c8-3-1-4(7(10)12)6(11(13)14)5(9)2-3/h1-2H,(H2,10,12).
What are the key properties of 5-chloro-3-iodo-2-nitrobenzamide?
5-chloro-3-iodo-2-nitrobenzamide has a molecular weight of 326.48 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-iodo-2-nitrobenzamide is sourced from PubChem (CID 171005064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).