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

C16H15ClINO2 — CID 103221354

IUPAC3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H15ClINO2/c1-19(10-12-5-3-4-6-15(12)21-2)16(20)11-7-8-14(18)13(17)9-11/h3-9H,10H2,1-2H3
InChIKeyHHMUDGGCKUKSES-UHFFFAOYSA-N
MW415.66 g/mol
LogP4.23
Rot. Bonds4

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

3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 103221354) has the molecular formula C16H15ClINO2 and a molecular weight of 415.66 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID103221354
Molecular FormulaC16H15ClINO2
Molecular Weight415.66 g/mol
Exact Mass414.98
IUPAC Name3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H15ClINO2/c1-19(10-12-5-3-4-6-15(12)21-2)16(20)11-7-8-14(18)13(17)9-11/h3-9H,10H2,1-2H3
InChIKeyHHMUDGGCKUKSES-UHFFFAOYSA-N
XLogP4.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.66
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61027377
3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221595
5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103600356
4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 17412285
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 24546703
5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 61111701
3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide
CID 103221365
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
N-[(2-methoxyphenyl)methyl]-N,4-dimethyl-3-nitrobenzamide
CID 27824435
N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 112790335
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 31234686

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (CID 103221354) is 3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccccc1CN(C)C(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is HHMUDGGCKUKSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClINO2/c1-19(10-12-5-3-4-6-15(12)21-2)16(20)11-7-8-14(18)13(17)9-11/h3-9H,10H2,1-2H3.
What are the key properties of 3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 415.66 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 103221354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).