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

C13H8ClIN2O3 — CID 1340842

IUPACN-(4-chloro-3-nitrophenyl)-4-iodobenzamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(I)cc1
InChIInChI=1S/C13H8ClIN2O3/c14-11-6-5-10(7-12(11)17(19)20)16-13(18)8-1-3-9(15)4-2-8/h1-7H,(H,16,18)
InChIKeyPAMZGNIFKHAHQU-UHFFFAOYSA-N
MW402.58 g/mol
LogP4.11
Rot. Bonds3

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

N-(4-chloro-3-nitrophenyl)-4-iodobenzamide (PubChem CID 1340842) has the molecular formula C13H8ClIN2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-4-iodobenzamide
PubChem CID1340842
Molecular FormulaC13H8ClIN2O3
Molecular Weight402.58 g/mol
Exact Mass401.93
IUPAC NameN-(4-chloro-3-nitrophenyl)-4-iodobenzamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(I)cc1
InChIInChI=1S/C13H8ClIN2O3/c14-11-6-5-10(7-12(11)17(19)20)16-13(18)8-1-3-9(15)4-2-8/h1-7H,(H,16,18)
InChIKeyPAMZGNIFKHAHQU-UHFFFAOYSA-N
XLogP4.11
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.11
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

3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 103221361
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43346941
4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43708452
N-[4-[(4-chloro-3-nitrophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60527960
N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide
CID 3351520
N-(4-chloro-3-nitrophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119387
N-(4-chloro-3-nitrophenyl)-2-iodobenzamide
CID 3343277
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-4-chloro-3-nitrobenzamide
CID 17111352
N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide
CID 104668259
2-[(4-chloro-3-nitrobenzoyl)amino]-5-iodobenzoic acid
CID 45345771
4-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 956247

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-4-iodobenzamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-4-iodobenzamide (CID 1340842) is N-(4-chloro-3-nitrophenyl)-4-iodobenzamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-4-iodobenzamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-4-iodobenzamide is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(I)cc1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-4-iodobenzamide?
The InChIKey is PAMZGNIFKHAHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClIN2O3/c14-11-6-5-10(7-12(11)17(19)20)16-13(18)8-1-3-9(15)4-2-8/h1-7H,(H,16,18).
What are the key properties of N-(4-chloro-3-nitrophenyl)-4-iodobenzamide?
N-(4-chloro-3-nitrophenyl)-4-iodobenzamide has a molecular weight of 402.58 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-4-iodobenzamide is sourced from PubChem (CID 1340842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).