3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide

C16H16INO2 — CID 104627629

IUPAC3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CN(C)C(=O)c2ccc(I)c(O)c2)c1
InChIInChI=1S/C16H16INO2/c1-11-4-3-5-12(8-11)10-18(2)16(20)13-6-7-14(17)15(19)9-13/h3-9,19H,10H2,1-2H3
InChIKeyMVROVDWTCUEZBH-UHFFFAOYSA-N
MW381.21 g/mol
LogP3.58
Rot. Bonds3

About 3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide

3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 104627629) has the molecular formula C16H16INO2 and a molecular weight of 381.21 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide
PubChem CID104627629
Molecular FormulaC16H16INO2
Molecular Weight381.21 g/mol
Exact Mass381.02
IUPAC Name3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CN(C)C(=O)c2ccc(I)c(O)c2)c1
InChIInChI=1S/C16H16INO2/c1-11-4-3-5-12(8-11)10-18(2)16(20)13-6-7-14(17)15(19)9-13/h3-9,19H,10H2,1-2H3
InChIKeyMVROVDWTCUEZBH-UHFFFAOYSA-N
XLogP3.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 53.58
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

N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide
CID 104627427
3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 103706723
4-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 62682971
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide
CID 61416207
3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide
CID 104956229
3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 60737430
3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 104627774
N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220856
ethyl 2-[(3-hydroxy-4-iodobenzoyl)-methylamino]acetate
CID 113434712
N-[(3-bromophenyl)methyl]-4-hydroxy-N,3-dimethylbenzamide
CID 103956433
3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221595

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide (CID 104627629) is 3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CN(C)C(=O)c2ccc(I)c(O)c2)c1.
What is the InChIKey of 3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is MVROVDWTCUEZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO2/c1-11-4-3-5-12(8-11)10-18(2)16(20)13-6-7-14(17)15(19)9-13/h3-9,19H,10H2,1-2H3.
What are the key properties of 3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 381.21 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 104627629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).