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

C16H16INO — CID 60631085

IUPAC3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C16H16INO/c1-12-6-8-13(9-7-12)11-18(2)16(19)14-4-3-5-15(17)10-14/h3-10H,11H2,1-2H3
InChIKeyKBTZNKQEMHHBRB-UHFFFAOYSA-N
MW365.21 g/mol
LogP3.87
Rot. Bonds3

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

3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 60631085) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is 3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
PubChem CID60631085
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC Name3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C16H16INO/c1-12-6-8-13(9-7-12)11-18(2)16(19)14-4-3-5-15(17)10-14/h3-10H,11H2,1-2H3
InChIKeyKBTZNKQEMHHBRB-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide
CID 60628796
N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 47290646
3-benzamido-N,4-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 46409799
N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide
CID 36715347
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
N-methyl-N-[(4-methylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762664
3-iodo-N-(2-methoxyethyl)-N-methylbenzamide
CID 61072173
3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47180891
2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 114325571
3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47116905
N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 61026834
3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27784015

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide (CID 60631085) is 3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2cccc(I)c2)cc1.
What is the InChIKey of 3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is KBTZNKQEMHHBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO/c1-12-6-8-13(9-7-12)11-18(2)16(19)14-4-3-5-15(17)10-14/h3-10H,11H2,1-2H3.
What are the key properties of 3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 365.21 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 60631085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).