3-iodo-4-[(2-methylphenyl)methoxy]benzamide

C15H14INO2 — CID 91682054

IUPAC3-iodo-4-[(2-methylphenyl)methoxy]benzamide
SMILESCc1ccccc1COc1ccc(C(N)=O)cc1I
InChIInChI=1S/C15H14INO2/c1-10-4-2-3-5-12(10)9-19-14-7-6-11(15(17)18)8-13(14)16/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyWSPUTDPVUKYLCO-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.28
Rot. Bonds4

About 3-iodo-4-[(2-methylphenyl)methoxy]benzamide

3-iodo-4-[(2-methylphenyl)methoxy]benzamide (PubChem CID 91682054) has the molecular formula C15H14INO2 and a molecular weight of 367.19 g/mol. Its IUPAC name is 3-iodo-4-[(2-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound Name3-iodo-4-[(2-methylphenyl)methoxy]benzamide
PubChem CID91682054
Molecular FormulaC15H14INO2
Molecular Weight367.19 g/mol
Exact Mass367.01
IUPAC Name3-iodo-4-[(2-methylphenyl)methoxy]benzamide
SMILESCc1ccccc1COc1ccc(C(N)=O)cc1I
InChIInChI=1S/C15H14INO2/c1-10-4-2-3-5-12(10)9-19-14-7-6-11(15(17)18)8-13(14)16/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyWSPUTDPVUKYLCO-UHFFFAOYSA-N
XLogP3.28
TPSA52.32 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 ≤ 53.28
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

3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate
CID 91681650
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
methyl (E)-3-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 91684631
3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 114486236
3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide
CID 91682780
5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593252
4-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide
CID 91682062
4-bromo-3-[(2-methylphenyl)methoxy]benzoic acid
CID 114103815
5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid
CID 25109956
prop-2-enyl 3-chloro-4-[(2-methylphenyl)methoxy]benzoate
CID 91681906

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-[(2-methylphenyl)methoxy]benzamide?
The IUPAC name of 3-iodo-4-[(2-methylphenyl)methoxy]benzamide (CID 91682054) is 3-iodo-4-[(2-methylphenyl)methoxy]benzamide.
What is the SMILES notation for 3-iodo-4-[(2-methylphenyl)methoxy]benzamide?
The canonical SMILES for 3-iodo-4-[(2-methylphenyl)methoxy]benzamide is Cc1ccccc1COc1ccc(C(N)=O)cc1I.
What is the InChIKey of 3-iodo-4-[(2-methylphenyl)methoxy]benzamide?
The InChIKey is WSPUTDPVUKYLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO2/c1-10-4-2-3-5-12(10)9-19-14-7-6-11(15(17)18)8-13(14)16/h2-8H,9H2,1H3,(H2,17,18).
What are the key properties of 3-iodo-4-[(2-methylphenyl)methoxy]benzamide?
3-iodo-4-[(2-methylphenyl)methoxy]benzamide has a molecular weight of 367.19 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-[(2-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 91682054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).