4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide

C18H17ClINO2 — CID 55686041

IUPAC4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(Cl)cc2I)C2CC2)cc1
InChIInChI=1S/C18H17ClINO2/c1-23-14-7-4-12(5-8-14)17(11-2-3-11)21-18(22)15-9-6-13(19)10-16(15)20/h4-11,17H,2-3H2,1H3,(H,21,22)
InChIKeyXITQVIJGLCIKCP-UHFFFAOYSA-N
MW441.70 g/mol
LogP4.83
Rot. Bonds5

About 4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide

4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide (PubChem CID 55686041) has the molecular formula C18H17ClINO2 and a molecular weight of 441.70 g/mol. Its IUPAC name is 4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide.

Molecular Properties

Compound Name4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide
PubChem CID55686041
Molecular FormulaC18H17ClINO2
Molecular Weight441.70 g/mol
Exact Mass441.00
IUPAC Name4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(Cl)cc2I)C2CC2)cc1
InChIInChI=1S/C18H17ClINO2/c1-23-14-7-4-12(5-8-14)17(11-2-3-11)21-18(22)15-9-6-13(19)10-16(15)20/h4-11,17H,2-3H2,1H3,(H,21,22)
InChIKeyXITQVIJGLCIKCP-UHFFFAOYSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.70
LogP ≤ 54.83
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

2-(4-chlorophenyl)-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 51688261
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide
CID 46571976
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
2-(3-chlorophenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]propanamide
CID 46449829
2-(4-chloro-2-methylphenoxy)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 55461093
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide
CID 45353412
5-bromo-N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 97000101
N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 42925486
5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline
CID 43755230
1-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 61253218

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide?
The IUPAC name of 4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide (CID 55686041) is 4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide.
What is the SMILES notation for 4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide?
The canonical SMILES for 4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide is COc1ccc(C(NC(=O)c2ccc(Cl)cc2I)C2CC2)cc1.
What is the InChIKey of 4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide?
The InChIKey is XITQVIJGLCIKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClINO2/c1-23-14-7-4-12(5-8-14)17(11-2-3-11)21-18(22)15-9-6-13(19)10-16(15)20/h4-11,17H,2-3H2,1H3,(H,21,22).
What are the key properties of 4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide?
4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide has a molecular weight of 441.70 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide is sourced from PubChem (CID 55686041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).