N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide

C17H18INO3 — CID 7366697

IUPACN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2I)c1
InChIInChI=1S/C17H18INO3/c1-11(14-10-12(21-2)8-9-16(14)22-3)19-17(20)13-6-4-5-7-15(13)18/h4-11H,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeyQZFQNBXMSKGTOT-NSHDSACASA-N
MW411.24 g/mol
LogP3.80
Rot. Bonds5

About N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide (PubChem CID 7366697) has the molecular formula C17H18INO3 and a molecular weight of 411.24 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide
PubChem CID7366697
Molecular FormulaC17H18INO3
Molecular Weight411.24 g/mol
Exact Mass411.03
IUPAC NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2I)c1
InChIInChI=1S/C17H18INO3/c1-11(14-10-12(21-2)8-9-16(14)22-3)19-17(20)13-6-4-5-7-15(13)18/h4-11H,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeyQZFQNBXMSKGTOT-NSHDSACASA-N
XLogP3.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.24
LogP ≤ 53.80
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-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodo-4-methylbenzamide
CID 133164699
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 3389695
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 124907001
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-iodobenzamide
CID 60674615
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 43031434
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479909
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 45355171

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide (CID 7366697) is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide is COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2I)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide?
The InChIKey is QZFQNBXMSKGTOT-NSHDSACASA-N. The full InChI is InChI=1S/C17H18INO3/c1-11(14-10-12(21-2)8-9-16(14)22-3)19-17(20)13-6-4-5-7-15(13)18/h4-11H,1-3H3,(H,19,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide?
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide has a molecular weight of 411.24 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide is sourced from PubChem (CID 7366697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).