2-iodo-N-[(4-nitrophenyl)methyl]benzamide

C14H11IN2O3 — CID 47311873

IUPAC2-iodo-N-[(4-nitrophenyl)methyl]benzamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)c1ccccc1I
InChIInChI=1S/C14H11IN2O3/c15-13-4-2-1-3-12(13)14(18)16-9-10-5-7-11(8-6-10)17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyRWOXXTJJOXHUDB-UHFFFAOYSA-N
MW382.16 g/mol
LogP3.13
Rot. Bonds4

About 2-iodo-N-[(4-nitrophenyl)methyl]benzamide

2-iodo-N-[(4-nitrophenyl)methyl]benzamide (PubChem CID 47311873) has the molecular formula C14H11IN2O3 and a molecular weight of 382.16 g/mol. Its IUPAC name is 2-iodo-N-[(4-nitrophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[(4-nitrophenyl)methyl]benzamide
PubChem CID47311873
Molecular FormulaC14H11IN2O3
Molecular Weight382.16 g/mol
Exact Mass381.98
IUPAC Name2-iodo-N-[(4-nitrophenyl)methyl]benzamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)c1ccccc1I
InChIInChI=1S/C14H11IN2O3/c15-13-4-2-1-3-12(13)14(18)16-9-10-5-7-11(8-6-10)17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyRWOXXTJJOXHUDB-UHFFFAOYSA-N
XLogP3.13
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.16
LogP ≤ 53.13
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

2-iodo-N-[(3-nitrophenyl)methyl]benzamide
CID 47450330
5-bromo-2-iodo-N-[(4-nitrophenyl)methyl]benzamide
CID 60535857
N-[[4-(2-aminoethyl)phenyl]methyl]-2-iodobenzamide
CID 62500805
N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide
CID 3656947
2-fluoro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide
CID 107358761
2-methyl-N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155521624
2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55901382
N-benzyl-5-iodo-2-[(4-nitrobenzoyl)amino]benzamide
CID 66556358
methyl 2,3-dihydroxy-4-[(4-nitrophenyl)methylcarbamoyl]benzoate
CID 25026688
2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide
CID 51289387
N-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)sulfonylamino]benzamide
CID 17319797
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-iodo-4-nitrobenzamide
CID 60622884

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(4-nitrophenyl)methyl]benzamide?
The IUPAC name of 2-iodo-N-[(4-nitrophenyl)methyl]benzamide (CID 47311873) is 2-iodo-N-[(4-nitrophenyl)methyl]benzamide.
What is the SMILES notation for 2-iodo-N-[(4-nitrophenyl)methyl]benzamide?
The canonical SMILES for 2-iodo-N-[(4-nitrophenyl)methyl]benzamide is O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[(4-nitrophenyl)methyl]benzamide?
The InChIKey is RWOXXTJJOXHUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O3/c15-13-4-2-1-3-12(13)14(18)16-9-10-5-7-11(8-6-10)17(19)20/h1-8H,9H2,(H,16,18).
What are the key properties of 2-iodo-N-[(4-nitrophenyl)methyl]benzamide?
2-iodo-N-[(4-nitrophenyl)methyl]benzamide has a molecular weight of 382.16 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(4-nitrophenyl)methyl]benzamide is sourced from PubChem (CID 47311873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).