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

C14H16INO3 — CID 63788351

IUPAC4-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ccc(I)cc2)CC1
InChIInChI=1S/C14H16INO3/c15-11-5-7-12(8-6-11)16-13(17)9-1-3-10(4-2-9)14(18)19/h5-10H,1-4H2,(H,16,17)(H,18,19)
InChIKeyRSBNLZFKCRPJOY-UHFFFAOYSA-N
MW373.19 g/mol
LogP3.12
Rot. Bonds3

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

4-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63788351) has the molecular formula C14H16INO3 and a molecular weight of 373.19 g/mol. Its IUPAC name is 4-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63788351
Molecular FormulaC14H16INO3
Molecular Weight373.19 g/mol
Exact Mass373.02
IUPAC Name4-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ccc(I)cc2)CC1
InChIInChI=1S/C14H16INO3/c15-11-5-7-12(8-6-11)16-13(17)9-1-3-10(4-2-9)14(18)19/h5-10H,1-4H2,(H,16,17)(H,18,19)
InChIKeyRSBNLZFKCRPJOY-UHFFFAOYSA-N
XLogP3.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 53.12
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

cis-(1S,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 7312287
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
4-[(4-tert-butylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673419
4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672451
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropanoic acid
CID 62232243
(1R,2S,3S,4R)-3-[(4-iodophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124577960
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
4-(pyrimidin-5-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 107589551
N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79600560
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782954

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63788351) is 4-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2ccc(I)cc2)CC1.
What is the InChIKey of 4-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is RSBNLZFKCRPJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO3/c15-11-5-7-12(8-6-11)16-13(17)9-1-3-10(4-2-9)14(18)19/h5-10H,1-4H2,(H,16,17)(H,18,19).
What are the key properties of 4-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 373.19 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63788351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).