N-[2-(ethylcarbamoyl)phenyl]-3-iodo-4-methoxybenzamide

C17H17IN2O3 — CID 4949371

IUPACN-[2-(ethylcarbamoyl)phenyl]-3-iodo-4-methoxybenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)c1ccc(OC)c(I)c1
InChIInChI=1S/C17H17IN2O3/c1-3-19-17(22)12-6-4-5-7-14(12)20-16(21)11-8-9-15(23-2)13(18)10-11/h4-10H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyKLNRQXQLBCFJSR-UHFFFAOYSA-N
MW424.24 g/mol
LogP3.30
Rot. Bonds5

About N-[2-(ethylcarbamoyl)phenyl]-3-iodo-4-methoxybenzamide

N-[2-(ethylcarbamoyl)phenyl]-3-iodo-4-methoxybenzamide (PubChem CID 4949371) has the molecular formula C17H17IN2O3 and a molecular weight of 424.24 g/mol. Its IUPAC name is N-[2-(ethylcarbamoyl)phenyl]-3-iodo-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(ethylcarbamoyl)phenyl]-3-iodo-4-methoxybenzamide
PubChem CID4949371
Molecular FormulaC17H17IN2O3
Molecular Weight424.24 g/mol
Exact Mass424.03
IUPAC NameN-[2-(ethylcarbamoyl)phenyl]-3-iodo-4-methoxybenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)c1ccc(OC)c(I)c1
InChIInChI=1S/C17H17IN2O3/c1-3-19-17(22)12-6-4-5-7-14(12)20-16(21)11-8-9-15(23-2)13(18)10-11/h4-10H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyKLNRQXQLBCFJSR-UHFFFAOYSA-N
XLogP3.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.24
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928
N-[[2-(ethylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methylbenzamide
CID 4949588
3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17342812
N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methoxybenzamide
CID 4938587
N-ethyl-2-[(4-phenylbenzoyl)amino]benzamide
CID 4949283
3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945980
3,5-dichloro-N-[2-(ethylcarbamoyl)phenyl]benzamide
CID 17133523
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17149351
N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
CID 100592155
N-(4-anilinophenyl)-3-iodo-4-methoxybenzamide
CID 1010448
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylcarbamoyl)phenyl]-3-iodo-4-methoxybenzamide?
The IUPAC name of N-[2-(ethylcarbamoyl)phenyl]-3-iodo-4-methoxybenzamide (CID 4949371) is N-[2-(ethylcarbamoyl)phenyl]-3-iodo-4-methoxybenzamide.
What is the SMILES notation for N-[2-(ethylcarbamoyl)phenyl]-3-iodo-4-methoxybenzamide?
The canonical SMILES for N-[2-(ethylcarbamoyl)phenyl]-3-iodo-4-methoxybenzamide is CCNC(=O)c1ccccc1NC(=O)c1ccc(OC)c(I)c1.
What is the InChIKey of N-[2-(ethylcarbamoyl)phenyl]-3-iodo-4-methoxybenzamide?
The InChIKey is KLNRQXQLBCFJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O3/c1-3-19-17(22)12-6-4-5-7-14(12)20-16(21)11-8-9-15(23-2)13(18)10-11/h4-10H,3H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(ethylcarbamoyl)phenyl]-3-iodo-4-methoxybenzamide?
N-[2-(ethylcarbamoyl)phenyl]-3-iodo-4-methoxybenzamide has a molecular weight of 424.24 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylcarbamoyl)phenyl]-3-iodo-4-methoxybenzamide is sourced from PubChem (CID 4949371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).