N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide

C15H13ClINO2 — CID 103292680

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1cccc(I)c1
InChIInChI=1S/C15H13ClINO2/c1-20-14-7-3-6-13(16)12(14)9-18-15(19)10-4-2-5-11(17)8-10/h2-8H,9H2,1H3,(H,18,19)
InChIKeyDRUHRTNCUKFJGF-UHFFFAOYSA-N
MW401.63 g/mol
LogP3.88
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide

N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide (PubChem CID 103292680) has the molecular formula C15H13ClINO2 and a molecular weight of 401.63 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide
PubChem CID103292680
Molecular FormulaC15H13ClINO2
Molecular Weight401.63 g/mol
Exact Mass400.97
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1cccc(I)c1
InChIInChI=1S/C15H13ClINO2/c1-20-14-7-3-6-13(16)12(14)9-18-15(19)10-4-2-5-11(17)8-10/h2-8H,9H2,1H3,(H,18,19)
InChIKeyDRUHRTNCUKFJGF-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.63
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide
CID 107037038
N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide
CID 103528255
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 103293349
3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]benzamide
CID 107953670
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 103292717
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 99834698
(E)-N-[(2-chloro-6-methoxyphenyl)methyl]but-2-enamide
CID 103292106
4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 103293340
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide
CID 103292678

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide (CID 103292680) is N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide is COc1cccc(Cl)c1CNC(=O)c1cccc(I)c1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide?
The InChIKey is DRUHRTNCUKFJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO2/c1-20-14-7-3-6-13(16)12(14)9-18-15(19)10-4-2-5-11(17)8-10/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide?
N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide has a molecular weight of 401.63 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide is sourced from PubChem (CID 103292680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).