3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide

C13H7Cl2IN2O3 — CID 103221361

IUPAC3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H7Cl2IN2O3/c14-9-3-2-8(6-12(9)18(20)21)17-13(19)7-1-4-11(16)10(15)5-7/h1-6H,(H,17,19)
InChIKeyNUPRWUMRJQDZID-UHFFFAOYSA-N
MW437.02 g/mol
LogP4.76
Rot. Bonds3

About 3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide

3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide (PubChem CID 103221361) has the molecular formula C13H7Cl2IN2O3 and a molecular weight of 437.02 g/mol. Its IUPAC name is 3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
PubChem CID103221361
Molecular FormulaC13H7Cl2IN2O3
Molecular Weight437.02 g/mol
Exact Mass435.89
IUPAC Name3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H7Cl2IN2O3/c14-9-3-2-8(6-12(9)18(20)21)17-13(19)7-1-4-11(16)10(15)5-7/h1-6H,(H,17,19)
InChIKeyNUPRWUMRJQDZID-UHFFFAOYSA-N
XLogP4.76
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.02
LogP ≤ 54.76
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'}

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Related Compounds

N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 1340842
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43346941
N-(4-chloro-3-nitrophenyl)-2-iodobenzamide
CID 3343277
4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43708452
4-chloro-N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 874387
4-chloro-N-[4-[[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3385354
N-[4-[(4-chloro-3-nitrophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60527960
N-(4-chloro-3-nitrophenyl)-8-hydroxynaphthalene-2-carboxamide
CID 575351
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-4-chloro-3-nitrobenzamide
CID 17111352
N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide
CID 3351520
2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide
CID 107812124

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide (CID 103221361) is 3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide?
The InChIKey is NUPRWUMRJQDZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2IN2O3/c14-9-3-2-8(6-12(9)18(20)21)17-13(19)7-1-4-11(16)10(15)5-7/h1-6H,(H,17,19).
What are the key properties of 3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide?
3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide has a molecular weight of 437.02 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide is sourced from PubChem (CID 103221361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).