N-(3-iodophenyl)-4-methyl-3-nitrobenzamide

C14H11IN2O3 — CID 18076816

IUPACN-(3-iodophenyl)-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2cccc(I)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11IN2O3/c1-9-5-6-10(7-13(9)17(19)20)14(18)16-12-4-2-3-11(15)8-12/h2-8H,1H3,(H,16,18)
InChIKeyVMMCJDCRQVSXMP-UHFFFAOYSA-N
MW382.16 g/mol
LogP3.76
Rot. Bonds3

About N-(3-iodophenyl)-4-methyl-3-nitrobenzamide

N-(3-iodophenyl)-4-methyl-3-nitrobenzamide (PubChem CID 18076816) has the molecular formula C14H11IN2O3 and a molecular weight of 382.16 g/mol. Its IUPAC name is N-(3-iodophenyl)-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-4-methyl-3-nitrobenzamide
PubChem CID18076816
Molecular FormulaC14H11IN2O3
Molecular Weight382.16 g/mol
Exact Mass381.98
IUPAC NameN-(3-iodophenyl)-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2cccc(I)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11IN2O3/c1-9-5-6-10(7-13(9)17(19)20)14(18)16-12-4-2-3-11(15)8-12/h2-8H,1H3,(H,16,18)
InChIKeyVMMCJDCRQVSXMP-UHFFFAOYSA-N
XLogP3.76
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.16
LogP ≤ 53.76
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-(3-ethylphenyl)-4-methyl-3-nitrobenzamide
CID 844839
N-[3-(hydroxymethyl)phenyl]-4-methyl-3-nitrobenzamide
CID 60629918
4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide
CID 62242193
N-[3-(1-hydroxyethyl)phenyl]-4-methyl-3-nitrobenzamide
CID 4099768
N-(3-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826592
N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 779436
N-[4-[(3-chlorobenzoyl)amino]phenyl]-4-methyl-3-nitrobenzamide
CID 3765376
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-nitrobenzamide
CID 126154265
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 55633368
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327
N-(4-methyl-3-nitrophenyl)-3-sulfanylbenzamide
CID 107021737

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-4-methyl-3-nitrobenzamide?
The IUPAC name of N-(3-iodophenyl)-4-methyl-3-nitrobenzamide (CID 18076816) is N-(3-iodophenyl)-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(3-iodophenyl)-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-(3-iodophenyl)-4-methyl-3-nitrobenzamide is Cc1ccc(C(=O)Nc2cccc(I)c2)cc1[N+](=O)[O-].
What is the InChIKey of N-(3-iodophenyl)-4-methyl-3-nitrobenzamide?
The InChIKey is VMMCJDCRQVSXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O3/c1-9-5-6-10(7-13(9)17(19)20)14(18)16-12-4-2-3-11(15)8-12/h2-8H,1H3,(H,16,18).
What are the key properties of N-(3-iodophenyl)-4-methyl-3-nitrobenzamide?
N-(3-iodophenyl)-4-methyl-3-nitrobenzamide has a molecular weight of 382.16 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 18076816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).