N-(4-chloro-2-iodophenyl)-2-ethylbenzamide

C15H13ClINO — CID 113268300

IUPACN-(4-chloro-2-iodophenyl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C15H13ClINO/c1-2-10-5-3-4-6-12(10)15(19)18-14-8-7-11(16)9-13(14)17/h3-9H,2H2,1H3,(H,18,19)
InChIKeyMGARXYDZBJGWPJ-UHFFFAOYSA-N
MW385.63 g/mol
LogP4.76
Rot. Bonds3

About N-(4-chloro-2-iodophenyl)-2-ethylbenzamide

N-(4-chloro-2-iodophenyl)-2-ethylbenzamide (PubChem CID 113268300) has the molecular formula C15H13ClINO and a molecular weight of 385.63 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-2-ethylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-2-ethylbenzamide
PubChem CID113268300
Molecular FormulaC15H13ClINO
Molecular Weight385.63 g/mol
Exact Mass384.97
IUPAC NameN-(4-chloro-2-iodophenyl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C15H13ClINO/c1-2-10-5-3-4-6-12(10)15(19)18-14-8-7-11(16)9-13(14)17/h3-9H,2H2,1H3,(H,18,19)
InChIKeyMGARXYDZBJGWPJ-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.63
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide
CID 107626246
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide
CID 103766879
2,3-dichloro-N-(4-chloro-2-iodophenyl)benzamide
CID 103766641
3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide
CID 107624186
2-bromo-N-(4-chloro-2-iodophenyl)butanamide
CID 107624936
N-(4-chloro-2-iodophenyl)-2,4-dimethylbenzamide
CID 113257834
N-[2-[(4-chloro-2-iodoanilino)methyl]phenyl]acetamide
CID 107631977
N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
CID 103766916
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631
2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide
CID 79766785
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-2-ethylbenzamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-2-ethylbenzamide (CID 113268300) is N-(4-chloro-2-iodophenyl)-2-ethylbenzamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-2-ethylbenzamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-2-ethylbenzamide is CCc1ccccc1C(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-2-ethylbenzamide?
The InChIKey is MGARXYDZBJGWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO/c1-2-10-5-3-4-6-12(10)15(19)18-14-8-7-11(16)9-13(14)17/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of N-(4-chloro-2-iodophenyl)-2-ethylbenzamide?
N-(4-chloro-2-iodophenyl)-2-ethylbenzamide has a molecular weight of 385.63 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-2-ethylbenzamide is sourced from PubChem (CID 113268300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).