2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid

C11H11BrClNO2 — CID 103259308

IUPAC2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid
SMILESO=C(O)C(Nc1ccc(Cl)cc1Br)C1CC1
InChIInChI=1S/C11H11BrClNO2/c12-8-5-7(13)3-4-9(8)14-10(11(15)16)6-1-2-6/h3-6,10,14H,1-2H2,(H,15,16)
InChIKeyJQZYZUSHGQXLTE-UHFFFAOYSA-N
MW304.57 g/mol
LogP3.38
Rot. Bonds4

About 2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid

2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid (PubChem CID 103259308) has the molecular formula C11H11BrClNO2 and a molecular weight of 304.57 g/mol. Its IUPAC name is 2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid
PubChem CID103259308
Molecular FormulaC11H11BrClNO2
Molecular Weight304.57 g/mol
Exact Mass302.97
IUPAC Name2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid
SMILESO=C(O)C(Nc1ccc(Cl)cc1Br)C1CC1
InChIInChI=1S/C11H11BrClNO2/c12-8-5-7(13)3-4-9(8)14-10(11(15)16)6-1-2-6/h3-6,10,14H,1-2H2,(H,15,16)
InChIKeyJQZYZUSHGQXLTE-UHFFFAOYSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.57
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid
CID 107636575
2-(4-bromo-2,3-dichloroanilino)-2-cyclopropylacetic acid
CID 107791302
2-(2-bromo-4-cyanoanilino)-2-cyclopropylacetic acid
CID 82797571
2-(4-chloro-2-nitroanilino)-2-cyclopropylacetic acid
CID 62697134
2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid
CID 115469364
2-(4-chloroanilino)-2-cyclopropylacetic acid
CID 61310557
2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid
CID 62494148
2-[(7-chloroquinolin-4-yl)amino]-2-cyclopropylacetic acid
CID 55108001
2-cyclopropyl-2-(2,4-dibromo-5-methoxyanilino)acetic acid
CID 103414999
2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid
CID 103233225
2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid
CID 107601020
2-(3-chloroanilino)-2-cyclopentylacetic acid
CID 55035047

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid?
The IUPAC name of 2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid (CID 103259308) is 2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid is O=C(O)C(Nc1ccc(Cl)cc1Br)C1CC1.
What is the InChIKey of 2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid?
The InChIKey is JQZYZUSHGQXLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO2/c12-8-5-7(13)3-4-9(8)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-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid?
2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid has a molecular weight of 304.57 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid is sourced from PubChem (CID 103259308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).