2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid

C14H16INO4 — CID 107731367

IUPAC2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1cc(I)ccc1O
InChIInChI=1S/C14H16INO4/c15-8-5-6-12(17)10(7-8)13(18)16-11-4-2-1-3-9(11)14(19)20/h5-7,9,11,17H,1-4H2,(H,16,18)(H,19,20)
InChIKeyKIVKARPVCMYLTM-UHFFFAOYSA-N
MW389.19 g/mol
LogP2.37
Rot. Bonds3

About 2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid

2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 107731367) has the molecular formula C14H16INO4 and a molecular weight of 389.19 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID107731367
Molecular FormulaC14H16INO4
Molecular Weight389.19 g/mol
Exact Mass389.01
IUPAC Name2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1cc(I)ccc1O
InChIInChI=1S/C14H16INO4/c15-8-5-6-12(17)10(7-8)13(18)16-11-4-2-1-3-9(11)14(19)20/h5-7,9,11,17H,1-4H2,(H,16,18)(H,19,20)
InChIKeyKIVKARPVCMYLTM-UHFFFAOYSA-N
XLogP2.37
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.19
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminocyclopentyl)-2-hydroxy-5-iodobenzamide
CID 107732083
2-[(3-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813119
2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813949
2-[(2,3-dihydroxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 114343415
2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82809247
2-[(2-hydroxy-5-iodobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 107731451
2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107732166
2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide
CID 103711939
N-(1,1-dioxothian-3-yl)-2-hydroxy-5-iodobenzamide
CID 103710763
5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927973
2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103925625
5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide
CID 107729610

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid (CID 107731367) is 2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCCCC1C(=O)O)c1cc(I)ccc1O.
What is the InChIKey of 2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is KIVKARPVCMYLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO4/c15-8-5-6-12(17)10(7-8)13(18)16-11-4-2-1-3-9(11)14(19)20/h5-7,9,11,17H,1-4H2,(H,16,18)(H,19,20).
What are the key properties of 2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid?
2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 389.19 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107731367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).