4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid

C14H15ClINO3 — CID 107629484

IUPAC4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ccc(Cl)cc2I)CC1
InChIInChI=1S/C14H15ClINO3/c15-10-5-6-12(11(16)7-10)17-13(18)8-1-3-9(4-2-8)14(19)20/h5-9H,1-4H2,(H,17,18)(H,19,20)
InChIKeyWVMBQXMBDNOLBJ-UHFFFAOYSA-N
MW407.64 g/mol
LogP3.77
Rot. Bonds3

About 4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 107629484) has the molecular formula C14H15ClINO3 and a molecular weight of 407.64 g/mol. Its IUPAC name is 4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID107629484
Molecular FormulaC14H15ClINO3
Molecular Weight407.64 g/mol
Exact Mass406.98
IUPAC Name4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ccc(Cl)cc2I)CC1
InChIInChI=1S/C14H15ClINO3/c15-10-5-6-12(11(16)7-10)17-13(18)8-1-3-9(4-2-8)14(19)20/h5-9H,1-4H2,(H,17,18)(H,19,20)
InChIKeyWVMBQXMBDNOLBJ-UHFFFAOYSA-N
XLogP3.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.64
LogP ≤ 53.77
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

N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
CID 107640629
N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide
CID 103766842
N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103766784
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide
CID 103766813
4-[[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673647
3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 56951740
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 54928746
2-bromo-N-(4-chloro-2-iodophenyl)acetamide
CID 107624932
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107625589
1-[(4-chloro-2-iodophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 107628481

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 107629484) is 4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2ccc(Cl)cc2I)CC1.
What is the InChIKey of 4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is WVMBQXMBDNOLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClINO3/c15-10-5-6-12(11(16)7-10)17-13(18)8-1-3-9(4-2-8)14(19)20/h5-9H,1-4H2,(H,17,18)(H,19,20).
What are the key properties of 4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 407.64 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107629484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).