2-iodo-N-[3-(methoxymethyl)phenyl]benzamide

C15H14INO2 — CID 1313720

IUPAC2-iodo-N-[3-(methoxymethyl)phenyl]benzamide
SMILESCOCc1cccc(NC(=O)c2ccccc2I)c1
InChIInChI=1S/C15H14INO2/c1-19-10-11-5-4-6-12(9-11)17-15(18)13-7-2-3-8-14(13)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyICCGOJVMHZGDHJ-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.69
Rot. Bonds4

About 2-iodo-N-[3-(methoxymethyl)phenyl]benzamide

2-iodo-N-[3-(methoxymethyl)phenyl]benzamide (PubChem CID 1313720) has the molecular formula C15H14INO2 and a molecular weight of 367.19 g/mol. Its IUPAC name is 2-iodo-N-[3-(methoxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[3-(methoxymethyl)phenyl]benzamide
PubChem CID1313720
Molecular FormulaC15H14INO2
Molecular Weight367.19 g/mol
Exact Mass367.01
IUPAC Name2-iodo-N-[3-(methoxymethyl)phenyl]benzamide
SMILESCOCc1cccc(NC(=O)c2ccccc2I)c1
InChIInChI=1S/C15H14INO2/c1-19-10-11-5-4-6-12(9-11)17-15(18)13-7-2-3-8-14(13)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyICCGOJVMHZGDHJ-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
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-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride
CID 142115034
2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 80718071
3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
CID 103988533
N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-carboxamide
CID 32638658
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
N-[3-(methoxymethyl)phenyl]thiophene-2-carboxamide
CID 32638339
N-(3-iodophenyl)-3-(methoxymethyl)benzamide
CID 7603133
5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
CID 32638343
4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 81227235
2-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62249141
4-bromo-2-methoxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 78987937
2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide
CID 107025437

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[3-(methoxymethyl)phenyl]benzamide?
The IUPAC name of 2-iodo-N-[3-(methoxymethyl)phenyl]benzamide (CID 1313720) is 2-iodo-N-[3-(methoxymethyl)phenyl]benzamide.
What is the SMILES notation for 2-iodo-N-[3-(methoxymethyl)phenyl]benzamide?
The canonical SMILES for 2-iodo-N-[3-(methoxymethyl)phenyl]benzamide is COCc1cccc(NC(=O)c2ccccc2I)c1.
What is the InChIKey of 2-iodo-N-[3-(methoxymethyl)phenyl]benzamide?
The InChIKey is ICCGOJVMHZGDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO2/c1-19-10-11-5-4-6-12(9-11)17-15(18)13-7-2-3-8-14(13)16/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-iodo-N-[3-(methoxymethyl)phenyl]benzamide?
2-iodo-N-[3-(methoxymethyl)phenyl]benzamide has a molecular weight of 367.19 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[3-(methoxymethyl)phenyl]benzamide is sourced from PubChem (CID 1313720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).