N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide

C15H13ClINO3 — CID 103766869

IUPACN-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccc(Cl)cc2I)c1
InChIInChI=1S/C15H13ClINO3/c1-20-10-4-6-14(21-2)11(8-10)15(19)18-13-5-3-9(16)7-12(13)17/h3-8H,1-2H3,(H,18,19)
InChIKeyGSQUVKMNHXWCHX-UHFFFAOYSA-N
MW417.63 g/mol
LogP4.21
Rot. Bonds4

About N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide

N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide (PubChem CID 103766869) has the molecular formula C15H13ClINO3 and a molecular weight of 417.63 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide
PubChem CID103766869
Molecular FormulaC15H13ClINO3
Molecular Weight417.63 g/mol
Exact Mass416.96
IUPAC NameN-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccc(Cl)cc2I)c1
InChIInChI=1S/C15H13ClINO3/c1-20-10-4-6-14(21-2)11(8-10)15(19)18-13-5-3-9(16)7-12(13)17/h3-8H,1-2H3,(H,18,19)
InChIKeyGSQUVKMNHXWCHX-UHFFFAOYSA-N
XLogP4.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.63
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 29274206
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide
CID 18108995
5-chloro-N-(2-chloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 64787348
2-fluoro-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 103737180
methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate
CID 108767153
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid
CID 45436153
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
5-chloro-N'-(5-chloro-2-iodobenzoyl)-2-methoxybenzohydrazide
CID 39708070
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide (CID 103766869) is N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)Nc2ccc(Cl)cc2I)c1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide?
The InChIKey is GSQUVKMNHXWCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO3/c1-20-10-4-6-14(21-2)11(8-10)15(19)18-13-5-3-9(16)7-12(13)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide?
N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide has a molecular weight of 417.63 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 103766869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).