4-chloro-N-[4-(ethylcarbamoyl)phenyl]-3-iodobenzamide

C16H14ClIN2O2 — CID 55802188

IUPAC4-chloro-N-[4-(ethylcarbamoyl)phenyl]-3-iodobenzamide
SMILESCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(I)c2)cc1
InChIInChI=1S/C16H14ClIN2O2/c1-2-19-15(21)10-3-6-12(7-4-10)20-16(22)11-5-8-13(17)14(18)9-11/h3-9H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyQTOYQMDXINTNSO-UHFFFAOYSA-N
MW428.66 g/mol
LogP3.95
Rot. Bonds4

About 4-chloro-N-[4-(ethylcarbamoyl)phenyl]-3-iodobenzamide

4-chloro-N-[4-(ethylcarbamoyl)phenyl]-3-iodobenzamide (PubChem CID 55802188) has the molecular formula C16H14ClIN2O2 and a molecular weight of 428.66 g/mol. Its IUPAC name is 4-chloro-N-[4-(ethylcarbamoyl)phenyl]-3-iodobenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(ethylcarbamoyl)phenyl]-3-iodobenzamide
PubChem CID55802188
Molecular FormulaC16H14ClIN2O2
Molecular Weight428.66 g/mol
Exact Mass427.98
IUPAC Name4-chloro-N-[4-(ethylcarbamoyl)phenyl]-3-iodobenzamide
SMILESCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(I)c2)cc1
InChIInChI=1S/C16H14ClIN2O2/c1-2-19-15(21)10-3-6-12(7-4-10)20-16(22)11-5-8-13(17)14(18)9-11/h3-9H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyQTOYQMDXINTNSO-UHFFFAOYSA-N
XLogP3.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.66
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-benzamido-N-ethylbenzamide
CID 17153265
N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 78892378
4-chloro-3-iodo-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456497
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
3-amino-4-chloro-N-(4-propylphenyl)benzamide
CID 43378583
3,4-diamino-N-[4-(ethylcarbamoyl)phenyl]benzamide;formic acid
CID 142223686
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide
CID 55956275
3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218730
[4-(ethylcarbamoyl)phenyl]carbamic acid;propane
CID 142227182
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 55802304
1-N-butyl-4-N-(3,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043815

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(ethylcarbamoyl)phenyl]-3-iodobenzamide?
The IUPAC name of 4-chloro-N-[4-(ethylcarbamoyl)phenyl]-3-iodobenzamide (CID 55802188) is 4-chloro-N-[4-(ethylcarbamoyl)phenyl]-3-iodobenzamide.
What is the SMILES notation for 4-chloro-N-[4-(ethylcarbamoyl)phenyl]-3-iodobenzamide?
The canonical SMILES for 4-chloro-N-[4-(ethylcarbamoyl)phenyl]-3-iodobenzamide is CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(I)c2)cc1.
What is the InChIKey of 4-chloro-N-[4-(ethylcarbamoyl)phenyl]-3-iodobenzamide?
The InChIKey is QTOYQMDXINTNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClIN2O2/c1-2-19-15(21)10-3-6-12(7-4-10)20-16(22)11-5-8-13(17)14(18)9-11/h3-9H,2H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-chloro-N-[4-(ethylcarbamoyl)phenyl]-3-iodobenzamide?
4-chloro-N-[4-(ethylcarbamoyl)phenyl]-3-iodobenzamide has a molecular weight of 428.66 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(ethylcarbamoyl)phenyl]-3-iodobenzamide is sourced from PubChem (CID 55802188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).