N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide

C18H20INO2 — CID 55593336

IUPACN-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide
SMILESCCN(C(=O)c1cccc(I)c1)C(C)c1cccc(OC)c1
InChIInChI=1S/C18H20INO2/c1-4-20(18(21)15-8-5-9-16(19)11-15)13(2)14-7-6-10-17(12-14)22-3/h5-13H,4H2,1-3H3
InChIKeyVTKMGCMHCZNJQI-UHFFFAOYSA-N
MW409.27 g/mol
LogP4.52
Rot. Bonds5

About N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide

N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 55593336) has the molecular formula C18H20INO2 and a molecular weight of 409.27 g/mol. Its IUPAC name is N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide
PubChem CID55593336
Molecular FormulaC18H20INO2
Molecular Weight409.27 g/mol
Exact Mass409.05
IUPAC NameN-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide
SMILESCCN(C(=O)c1cccc(I)c1)C(C)c1cccc(OC)c1
InChIInChI=1S/C18H20INO2/c1-4-20(18(21)15-8-5-9-16(19)11-15)13(2)14-7-6-10-17(12-14)22-3/h5-13H,4H2,1-3H3
InChIKeyVTKMGCMHCZNJQI-UHFFFAOYSA-N
XLogP4.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 54.52
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

N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 55591908
2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119295043
N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 75807721
3-[ethyl-(3-iodobenzoyl)amino]butanoic acid
CID 62821910
3-[[ethyl-[1-(3-methoxyphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122019316
cis-(1S,2R)-2-[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131878
N-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 75807755
N-ethyl-2-(3-fluorophenoxy)-N-[1-(3-methoxyphenyl)ethyl]propanamide
CID 78853259
N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 52574182
2-[butan-2-yl-(3-methoxybenzoyl)amino]acetic acid
CID 54925820
1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 78886119
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide (CID 55593336) is N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide is CCN(C(=O)c1cccc(I)c1)C(C)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is VTKMGCMHCZNJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO2/c1-4-20(18(21)15-8-5-9-16(19)11-15)13(2)14-7-6-10-17(12-14)22-3/h5-13H,4H2,1-3H3.
What are the key properties of N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide?
N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 409.27 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 55593336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).