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

C15H19ClINO — CID 107640629

IUPACN-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)C1CCCCCCC1
InChIInChI=1S/C15H19ClINO/c16-12-8-9-14(13(17)10-12)18-15(19)11-6-4-2-1-3-5-7-11/h8-11H,1-7H2,(H,18,19)
InChIKeySBLIHWJBNWNDRE-UHFFFAOYSA-N
MW391.68 g/mol
LogP5.24
Rot. Bonds2

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

N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide (PubChem CID 107640629) has the molecular formula C15H19ClINO and a molecular weight of 391.68 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
PubChem CID107640629
Molecular FormulaC15H19ClINO
Molecular Weight391.68 g/mol
Exact Mass391.02
IUPAC NameN-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)C1CCCCCCC1
InChIInChI=1S/C15H19ClINO/c16-12-8-9-14(13(17)10-12)18-15(19)11-6-4-2-1-3-5-7-11/h8-11H,1-7H2,(H,18,19)
InChIKeySBLIHWJBNWNDRE-UHFFFAOYSA-N
XLogP5.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.68
LogP ≤ 55.24
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

4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107629484
N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103766784
N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide
CID 103766842
N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide
CID 81272184
N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide
CID 103766813
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107625589
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide
CID 81272636
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide
CID 166607238
1-N,3-N-bis(4-chloro-2-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 60594428

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide (CID 107640629) is N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide is O=C(Nc1ccc(Cl)cc1I)C1CCCCCCC1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide?
The InChIKey is SBLIHWJBNWNDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClINO/c16-12-8-9-14(13(17)10-12)18-15(19)11-6-4-2-1-3-5-7-11/h8-11H,1-7H2,(H,18,19).
What are the key properties of N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide?
N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide has a molecular weight of 391.68 g/mol, XLogP of 5.24, 2 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)cyclooctanecarboxamide is sourced from PubChem (CID 107640629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).