N-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide

C16H16INO — CID 47313258

IUPACN-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide
SMILESCc1ccc(N(C)C(=O)c2ccccc2I)c(C)c1
InChIInChI=1S/C16H16INO/c1-11-8-9-15(12(2)10-11)18(3)16(19)13-6-4-5-7-14(13)17/h4-10H,1-3H3
InChIKeyNYYVIDQVESBSCB-UHFFFAOYSA-N
MW365.21 g/mol
LogP4.18
Rot. Bonds2

About N-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide

N-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide (PubChem CID 47313258) has the molecular formula C16H16INO and a molecular weight of 365.21 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide
PubChem CID47313258
Molecular FormulaC16H16INO
Molecular Weight365.21 g/mol
Exact Mass365.03
IUPAC NameN-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide
SMILESCc1ccc(N(C)C(=O)c2ccccc2I)c(C)c1
InChIInChI=1S/C16H16INO/c1-11-8-9-15(12(2)10-11)18(3)16(19)13-6-4-5-7-14(13)17/h4-10H,1-3H3
InChIKeyNYYVIDQVESBSCB-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 54.18
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-(2,4-dimethylphenyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103888049
2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614620
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
N-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105381112
2-bromo-N-(2,4-dimethylphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027687
6-bromo-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 103874287
2-hydroxy-N-methyl-N-(2-methylphenyl)benzamide
CID 20668349
3-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001405
3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide
CID 62003677
4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide
CID 115115659
3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide
CID 62002753
3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
CID 115695066

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide (CID 47313258) is N-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide is Cc1ccc(N(C)C(=O)c2ccccc2I)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide?
The InChIKey is NYYVIDQVESBSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO/c1-11-8-9-15(12(2)10-11)18(3)16(19)13-6-4-5-7-14(13)17/h4-10H,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide?
N-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide has a molecular weight of 365.21 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide is sourced from PubChem (CID 47313258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).