1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid

C11H9ClINO3 — CID 103925830

IUPAC1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1cc(Cl)ccc1I
InChIInChI=1S/C11H9ClINO3/c12-6-1-2-8(13)7(5-6)9(15)14-11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)
InChIKeyHYXAACWHUKDTRD-UHFFFAOYSA-N
MW365.55 g/mol
LogP2.29
Rot. Bonds3

About 1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid

1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 103925830) has the molecular formula C11H9ClINO3 and a molecular weight of 365.55 g/mol. Its IUPAC name is 1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid
PubChem CID103925830
Molecular FormulaC11H9ClINO3
Molecular Weight365.55 g/mol
Exact Mass364.93
IUPAC Name1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1cc(Cl)ccc1I
InChIInChI=1S/C11H9ClINO3/c12-6-1-2-8(13)7(5-6)9(15)14-11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)
InChIKeyHYXAACWHUKDTRD-UHFFFAOYSA-N
XLogP2.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 52.29
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

3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid
CID 103925892
5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide
CID 103677274
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570
4-[(5-chloro-2-fluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291662
2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid
CID 103790760
5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide
CID 86986055
1-[(2-bromo-4-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107986460
1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid
CID 106500330
1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158312
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
4-[(2-iodobenzoyl)amino]oxane-4-carboxylic acid
CID 115291425
5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 104957603

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid (CID 103925830) is 1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1)c1cc(Cl)ccc1I.
What is the InChIKey of 1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is HYXAACWHUKDTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClINO3/c12-6-1-2-8(13)7(5-6)9(15)14-11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17).
What are the key properties of 1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid?
1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 365.55 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 103925830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).