3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide

C17H17ClINO — CID 103221365

IUPAC3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(I)c(Cl)c2)c(C)c1
InChIInChI=1S/C17H17ClINO/c1-11-4-5-14(12(2)8-11)10-20(3)17(21)13-6-7-16(19)15(18)9-13/h4-9H,10H2,1-3H3
InChIKeyMNDQXZCUEPPAQY-UHFFFAOYSA-N
MW413.69 g/mol
LogP4.83
Rot. Bonds3

About 3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide

3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide (PubChem CID 103221365) has the molecular formula C17H17ClINO and a molecular weight of 413.69 g/mol. Its IUPAC name is 3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide
PubChem CID103221365
Molecular FormulaC17H17ClINO
Molecular Weight413.69 g/mol
Exact Mass413.00
IUPAC Name3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(I)c(Cl)c2)c(C)c1
InChIInChI=1S/C17H17ClINO/c1-11-4-5-14(12(2)8-11)10-20(3)17(21)13-6-7-16(19)15(18)9-13/h4-9H,10H2,1-3H3
InChIKeyMNDQXZCUEPPAQY-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.69
LogP ≤ 54.83
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

3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354
3-chloro-4-iodo-N-methyl-N-propylbenzamide
CID 103736028
5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 18209420
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9227950
2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753955
N-[(2,4-dimethylphenyl)methyl]-4-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 9228053
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-piperidin-1-ylsulfonylbenzamide
CID 17477585
2,5-dichloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917420
N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 18117054
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220863
4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 9227980
N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220856

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide?
The IUPAC name of 3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide (CID 103221365) is 3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide is Cc1ccc(CN(C)C(=O)c2ccc(I)c(Cl)c2)c(C)c1.
What is the InChIKey of 3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide?
The InChIKey is MNDQXZCUEPPAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClINO/c1-11-4-5-14(12(2)8-11)10-20(3)17(21)13-6-7-16(19)15(18)9-13/h4-9H,10H2,1-3H3.
What are the key properties of 3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide?
3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide has a molecular weight of 413.69 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide is sourced from PubChem (CID 103221365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).