2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid

C11H11ClINO2 — CID 107636575

IUPAC2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid
SMILESO=C(O)C(Nc1ccc(Cl)cc1I)C1CC1
InChIInChI=1S/C11H11ClINO2/c12-7-3-4-9(8(13)5-7)14-10(11(15)16)6-1-2-6/h3-6,10,14H,1-2H2,(H,15,16)
InChIKeyBPJBXBMBMPNWTG-UHFFFAOYSA-N
MW351.57 g/mol
LogP3.22
Rot. Bonds4

About 2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid

2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid (PubChem CID 107636575) has the molecular formula C11H11ClINO2 and a molecular weight of 351.57 g/mol. Its IUPAC name is 2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid
PubChem CID107636575
Molecular FormulaC11H11ClINO2
Molecular Weight351.57 g/mol
Exact Mass350.95
IUPAC Name2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid
SMILESO=C(O)C(Nc1ccc(Cl)cc1I)C1CC1
InChIInChI=1S/C11H11ClINO2/c12-7-3-4-9(8(13)5-7)14-10(11(15)16)6-1-2-6/h3-6,10,14H,1-2H2,(H,15,16)
InChIKeyBPJBXBMBMPNWTG-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.57
LogP ≤ 53.22
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-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid
CID 103259308
2-(4-chloro-2-nitroanilino)-2-cyclopropylacetic acid
CID 62697134
2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid
CID 62494148
2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid
CID 115469364
2-(4-chloroanilino)-2-cyclopropylacetic acid
CID 61310557
2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid
CID 55108001
3-(4-chloro-2-iodoanilino)-2-methylbutanoic acid
CID 107635004
2-(4-bromo-2,3-dichloroanilino)-2-cyclopropylacetic acid
CID 107791302
2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid
CID 103233225
2-(3-chloroanilino)-2-cyclopentylacetic acid
CID 55035047
4-[(4-chloro-2-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107629484
2-(2-bromo-4-cyanoanilino)-2-cyclopropylacetic acid
CID 82797571

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid?
The IUPAC name of 2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid (CID 107636575) is 2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid is O=C(O)C(Nc1ccc(Cl)cc1I)C1CC1.
What is the InChIKey of 2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid?
The InChIKey is BPJBXBMBMPNWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClINO2/c12-7-3-4-9(8(13)5-7)14-10(11(15)16)6-1-2-6/h3-6,10,14H,1-2H2,(H,15,16).
What are the key properties of 2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid?
2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid has a molecular weight of 351.57 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid is sourced from PubChem (CID 107636575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).