2-iodo-N-[(2-methoxyphenyl)methyl]benzamide

C15H14INO2 — CID 1378811

IUPAC2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccccc1I
InChIInChI=1S/C15H14INO2/c1-19-14-9-5-2-6-11(14)10-17-15(18)12-7-3-4-8-13(12)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyYEYCJXPRENYSGN-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.23
Rot. Bonds4

About 2-iodo-N-[(2-methoxyphenyl)methyl]benzamide

2-iodo-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 1378811) has the molecular formula C15H14INO2 and a molecular weight of 367.19 g/mol. Its IUPAC name is 2-iodo-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID1378811
Molecular FormulaC15H14INO2
Molecular Weight367.19 g/mol
Exact Mass367.01
IUPAC Name2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccccc1I
InChIInChI=1S/C15H14INO2/c1-19-14-9-5-2-6-11(14)10-17-15(18)12-7-3-4-8-13(12)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyYEYCJXPRENYSGN-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
CID 3362065
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350
2-benzamido-N-[(2-methoxyphenyl)methyl]benzamide
CID 9404635
2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533778
N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 18081414
4-methoxy-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzamide
CID 110761590
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
3-fluoro-N-[(2-methoxyphenyl)methyl]-2-(methylamino)benzamide
CID 62648542
N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide
CID 9404793
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-iodo-N-[(2-methoxyphenyl)methyl]benzamide (CID 1378811) is 2-iodo-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-iodo-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-iodo-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccccc1CNC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is YEYCJXPRENYSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO2/c1-19-14-9-5-2-6-11(14)10-17-15(18)12-7-3-4-8-13(12)16/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-iodo-N-[(2-methoxyphenyl)methyl]benzamide?
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 367.19 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 1378811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).