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

C16H15ClINO2 — CID 103221595

IUPAC3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(I)c(Cl)c2)c1
InChIInChI=1S/C16H15ClINO2/c1-19(10-11-4-3-5-13(8-11)21-2)16(20)12-6-7-15(18)14(17)9-12/h3-9H,10H2,1-2H3
InChIKeyYPTRMUQJWCDCQP-UHFFFAOYSA-N
MW415.66 g/mol
LogP4.23
Rot. Bonds4

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

3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 103221595) has the molecular formula C16H15ClINO2 and a molecular weight of 415.66 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID103221595
Molecular FormulaC16H15ClINO2
Molecular Weight415.66 g/mol
Exact Mass414.98
IUPAC Name3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(I)c(Cl)c2)c1
InChIInChI=1S/C16H15ClINO2/c1-19(10-11-4-3-5-13(8-11)21-2)16(20)12-6-7-15(18)14(17)9-12/h3-9H,10H2,1-2H3
InChIKeyYPTRMUQJWCDCQP-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-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220856
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687
4-(2-amino-2-oxoethoxy)-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 166194594
3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 61115963
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354
2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917457
3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103975419
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
2-hydrazinyl-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 62243535
N-[(5-bromothiophen-3-yl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220862
2-(2,6-dichlorophenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 112786345

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide (CID 103221595) is 3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide is COc1cccc(CN(C)C(=O)c2ccc(I)c(Cl)c2)c1.
What is the InChIKey of 3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is YPTRMUQJWCDCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClINO2/c1-19(10-11-4-3-5-13(8-11)21-2)16(20)12-6-7-15(18)14(17)9-12/h3-9H,10H2,1-2H3.
What are the key properties of 3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
3-chloro-4-iodo-N-[(3-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-[(3-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 103221595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).