N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide

C14H10FIN2O3 — CID 38898747

IUPACN-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
SMILESCc1ccc(F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C14H10FIN2O3/c1-8-2-3-9(15)6-13(8)17-14(19)11-7-10(18(20)21)4-5-12(11)16/h2-7H,1H3,(H,17,19)
InChIKeyMHBHGIWMMPLTQW-UHFFFAOYSA-N
MW400.15 g/mol
LogP3.90
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide

N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide (PubChem CID 38898747) has the molecular formula C14H10FIN2O3 and a molecular weight of 400.15 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
PubChem CID38898747
Molecular FormulaC14H10FIN2O3
Molecular Weight400.15 g/mol
Exact Mass399.97
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
SMILESCc1ccc(F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C14H10FIN2O3/c1-8-2-3-9(15)6-13(8)17-14(19)11-7-10(18(20)21)4-5-12(11)16/h2-7H,1H3,(H,17,19)
InChIKeyMHBHGIWMMPLTQW-UHFFFAOYSA-N
XLogP3.90
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.15
LogP ≤ 53.90
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-cyclopropyl-3-[(2-iodo-5-nitrobenzoyl)amino]-4-methylbenzamide
CID 55786243
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide
CID 63327531
4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide
CID 115745847
2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 43708503
6-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497751
2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244
N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide
CID 103774972
2-amino-4-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 63110152
N-(2,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16962982
2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 60594295
2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
CID 38888111

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide (CID 38898747) is N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide is Cc1ccc(F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide?
The InChIKey is MHBHGIWMMPLTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FIN2O3/c1-8-2-3-9(15)6-13(8)17-14(19)11-7-10(18(20)21)4-5-12(11)16/h2-7H,1H3,(H,17,19).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide?
N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide has a molecular weight of 400.15 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide is sourced from PubChem (CID 38898747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).