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

C11H12ClNO2 — CID 61310557

IUPAC2-(4-chloroanilino)-2-cyclopropylacetic acid
SMILESO=C(O)C(Nc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C11H12ClNO2/c12-8-3-5-9(6-4-8)13-10(11(14)15)7-1-2-7/h3-7,10,13H,1-2H2,(H,14,15)
InChIKeyHCXNCDWXGUZBIE-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.62
Rot. Bonds4

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

2-(4-chloroanilino)-2-cyclopropylacetic acid (PubChem CID 61310557) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-cyclopropylacetic acid
PubChem CID61310557
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name2-(4-chloroanilino)-2-cyclopropylacetic acid
SMILESO=C(O)C(Nc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C11H12ClNO2/c12-8-3-5-9(6-4-8)13-10(11(14)15)7-1-2-7/h3-7,10,13H,1-2H2,(H,14,15)
InChIKeyHCXNCDWXGUZBIE-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid
CID 103233225
2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid
CID 103259308
2-(3-chloroanilino)-2-cyclopentylacetic acid
CID 55035047
2-(4-chloro-2-iodoanilino)-2-cyclopropylacetic acid
CID 107636575
2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid
CID 62696169
2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid
CID 62696168
2-(5-chloro-2-nitroanilino)-2-cyclopropylacetic acid
CID 115469364
2-(4-chloro-2-nitroanilino)-2-cyclopropylacetic acid
CID 62697134
2-(3-bromo-4-carbamoylanilino)-2-cyclopropylacetic acid
CID 107275436
2-cyclopropyl-2-(3-iodoanilino)acetic acid
CID 103236721
ethyl 2-(4-chloroanilino)-2-(oxan-4-yl)acetate
CID 62387239
2-(1-benzothiophen-5-ylamino)-2-cyclopropylacetic acid
CID 103252360

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-cyclopropylacetic acid?
The IUPAC name of 2-(4-chloroanilino)-2-cyclopropylacetic acid (CID 61310557) is 2-(4-chloroanilino)-2-cyclopropylacetic acid.
What is the SMILES notation for 2-(4-chloroanilino)-2-cyclopropylacetic acid?
The canonical SMILES for 2-(4-chloroanilino)-2-cyclopropylacetic acid is O=C(O)C(Nc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chloroanilino)-2-cyclopropylacetic acid?
The InChIKey is HCXNCDWXGUZBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-8-3-5-9(6-4-8)13-10(11(14)15)7-1-2-7/h3-7,10,13H,1-2H2,(H,14,15).
What are the key properties of 2-(4-chloroanilino)-2-cyclopropylacetic acid?
2-(4-chloroanilino)-2-cyclopropylacetic acid has a molecular weight of 225.68 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-cyclopropylacetic acid is sourced from PubChem (CID 61310557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).