2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid

C15H17ClINO3 — CID 103790760

IUPAC2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(Cl)ccc2I)CCCCC1
InChIInChI=1S/C15H17ClINO3/c16-10-4-5-12(17)11(8-10)14(21)18-15(9-13(19)20)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,18,21)(H,19,20)
InChIKeyAJXSFTKTJFZQEQ-UHFFFAOYSA-N
MW421.66 g/mol
LogP3.85
Rot. Bonds4

About 2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid

2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid (PubChem CID 103790760) has the molecular formula C15H17ClINO3 and a molecular weight of 421.66 g/mol. Its IUPAC name is 2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid
PubChem CID103790760
Molecular FormulaC15H17ClINO3
Molecular Weight421.66 g/mol
Exact Mass420.99
IUPAC Name2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(Cl)ccc2I)CCCCC1
InChIInChI=1S/C15H17ClINO3/c16-10-4-5-12(17)11(8-10)14(21)18-15(9-13(19)20)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,18,21)(H,19,20)
InChIKeyAJXSFTKTJFZQEQ-UHFFFAOYSA-N
XLogP3.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.66
LogP ≤ 53.85
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

2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 64671169
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672384
2-[1-[(2-iodo-5-nitrobenzoyl)amino]cyclobutyl]acetic acid
CID 103790767
5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide
CID 86986055
1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 103925830
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845388
2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 106500317
2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid
CID 64672784
5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide
CID 103677274
2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid
CID 103790762
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82883175
5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide
CID 62517913

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid (CID 103790760) is 2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)c2cc(Cl)ccc2I)CCCCC1.
What is the InChIKey of 2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid?
The InChIKey is AJXSFTKTJFZQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClINO3/c16-10-4-5-12(17)11(8-10)14(21)18-15(9-13(19)20)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,18,21)(H,19,20).
What are the key properties of 2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid?
2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid has a molecular weight of 421.66 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 103790760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).