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

C14H16INO3 — CID 64813949

IUPAC2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1ccccc1I
InChIInChI=1S/C14H16INO3/c15-11-7-3-1-5-9(11)13(17)16-12-8-4-2-6-10(12)14(18)19/h1,3,5,7,10,12H,2,4,6,8H2,(H,16,17)(H,18,19)
InChIKeyUSIYUEAYFIUDNK-UHFFFAOYSA-N
MW373.19 g/mol
LogP2.66
Rot. Bonds3

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

2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64813949) has the molecular formula C14H16INO3 and a molecular weight of 373.19 g/mol. Its IUPAC name is 2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64813949
Molecular FormulaC14H16INO3
Molecular Weight373.19 g/mol
Exact Mass373.02
IUPAC Name2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)c1ccccc1I
InChIInChI=1S/C14H16INO3/c15-11-7-3-1-5-9(11)13(17)16-12-8-4-2-6-10(12)14(18)19/h1,3,5,7,10,12H,2,4,6,8H2,(H,16,17)(H,18,19)
InChIKeyUSIYUEAYFIUDNK-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide
CID 76978483
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 60722477
trans-(1S,2S)-2-[[(2-iodobenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 27525117
2-[(2,3-dihydroxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 114343415
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
2-[(2-hydroxy-5-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107731367
2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82809247
2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814568
2-iodo-N-(2-methyloxolan-3-yl)benzamide
CID 82728917
2-[(3-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813119

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid (CID 64813949) is 2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCCCC1C(=O)O)c1ccccc1I.
What is the InChIKey of 2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is USIYUEAYFIUDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO3/c15-11-7-3-1-5-9(11)13(17)16-12-8-4-2-6-10(12)14(18)19/h1,3,5,7,10,12H,2,4,6,8H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid?
2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 373.19 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64813949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).