N-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide

C13H7ClFIN2O3 — CID 62680232

IUPACN-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide
SMILESO=C(Nc1ccc(I)cc1Cl)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C13H7ClFIN2O3/c14-9-6-8(16)2-3-11(9)17-13(19)7-1-4-12(18(20)21)10(15)5-7/h1-6H,(H,17,19)
InChIKeyVWTNFBFCPNDXNL-UHFFFAOYSA-N
MW420.57 g/mol
LogP4.24
Rot. Bonds3

About N-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide

N-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide (PubChem CID 62680232) has the molecular formula C13H7ClFIN2O3 and a molecular weight of 420.57 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide
PubChem CID62680232
Molecular FormulaC13H7ClFIN2O3
Molecular Weight420.57 g/mol
Exact Mass419.92
IUPAC NameN-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide
SMILESO=C(Nc1ccc(I)cc1Cl)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C13H7ClFIN2O3/c14-9-6-8(16)2-3-11(9)17-13(19)7-1-4-12(18(20)21)10(15)5-7/h1-6H,(H,17,19)
InChIKeyVWTNFBFCPNDXNL-UHFFFAOYSA-N
XLogP4.24
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.57
LogP ≤ 54.24
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-(3,4-dichlorophenyl)-3-fluoro-4-nitrobenzamide
CID 62680379
N-(4-bromo-2-methylphenyl)-3-fluoro-4-nitrobenzamide
CID 62681982
N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
CID 26363954
N-(2-bromo-4-fluorophenyl)-3-chloro-4-nitrobenzamide
CID 82778464
2-[(4-chloro-3-nitrobenzoyl)amino]-5-iodobenzoic acid
CID 45345771
4-bromo-N-(2-chloro-4-iodophenyl)benzamide
CID 47183104
3-(2-chloro-4-iodoanilino)-4-nitrobenzoic acid
CID 107607022
N-(2,4-dichlorophenyl)-4-methylsulfanyl-3-nitrobenzamide
CID 4849217
3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide
CID 103852321
N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide
CID 4985989
3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 103873201
N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide
CID 102741114

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide (CID 62680232) is N-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide is O=C(Nc1ccc(I)cc1Cl)c1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide?
The InChIKey is VWTNFBFCPNDXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFIN2O3/c14-9-6-8(16)2-3-11(9)17-13(19)7-1-4-12(18(20)21)10(15)5-7/h1-6H,(H,17,19).
What are the key properties of N-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide?
N-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide has a molecular weight of 420.57 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide is sourced from PubChem (CID 62680232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).