2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide

C14H10FIN2O3 — CID 103297109

IUPAC2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2I)c1F
InChIInChI=1S/C14H10FIN2O3/c1-8-6-9(18(20)21)7-10(13(8)15)14(19)17-12-5-3-2-4-11(12)16/h2-7H,1H3,(H,17,19)
InChIKeySEWOPWFORWHZHP-UHFFFAOYSA-N
MW400.15 g/mol
LogP3.90
Rot. Bonds3

About 2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide

2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide (PubChem CID 103297109) has the molecular formula C14H10FIN2O3 and a molecular weight of 400.15 g/mol. Its IUPAC name is 2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide
PubChem CID103297109
Molecular FormulaC14H10FIN2O3
Molecular Weight400.15 g/mol
Exact Mass399.97
IUPAC Name2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2I)c1F
InChIInChI=1S/C14H10FIN2O3/c1-8-6-9(18(20)21)7-10(13(8)15)14(19)17-12-5-3-2-4-11(12)16/h2-7H,1H3,(H,17,19)
InChIKeySEWOPWFORWHZHP-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-(3-aminophenyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297780
2-fluoro-3-methyl-5-nitrobenzoic acid
CID 80701808
1-(2-fluoro-3-methyl-5-nitrophenyl)ethanone
CID 131091224
5-fluoro-N-(2-iodophenyl)-2-methylbenzamide
CID 33037108
2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide
CID 107261878
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297649
2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 80710679
N-(2-aminoethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297273
2-fluoro-3-methyl-5-nitro-N-prop-2-ynylbenzamide
CID 103297090
2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide
CID 103297073
N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
CID 38898747
2-fluoro-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 107261812

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide?
The IUPAC name of 2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide (CID 103297109) is 2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide.
What is the SMILES notation for 2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide?
The canonical SMILES for 2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide is Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2I)c1F.
What is the InChIKey of 2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide?
The InChIKey is SEWOPWFORWHZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FIN2O3/c1-8-6-9(18(20)21)7-10(13(8)15)14(19)17-12-5-3-2-4-11(12)16/h2-7H,1H3,(H,17,19).
What are the key properties of 2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide?
2-fluoro-N-(2-iodophenyl)-3-methyl-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 2-fluoro-N-(2-iodophenyl)-3-methyl-5-nitrobenzamide is sourced from PubChem (CID 103297109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).