2-(3-chloroanilino)-2-cyclopentylacetic acid

C13H16ClNO2 — CID 55035047

IUPAC2-(3-chloroanilino)-2-cyclopentylacetic acid
SMILESO=C(O)C(Nc1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C13H16ClNO2/c14-10-6-3-7-11(8-10)15-12(13(16)17)9-4-1-2-5-9/h3,6-9,12,15H,1-2,4-5H2,(H,16,17)
InChIKeyZKFBGDQVCQGLSZ-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.40
Rot. Bonds4

About 2-(3-chloroanilino)-2-cyclopentylacetic acid

2-(3-chloroanilino)-2-cyclopentylacetic acid (PubChem CID 55035047) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-cyclopentylacetic acid.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-cyclopentylacetic acid
PubChem CID55035047
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(3-chloroanilino)-2-cyclopentylacetic acid
SMILESO=C(O)C(Nc1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C13H16ClNO2/c14-10-6-3-7-11(8-10)15-12(13(16)17)9-4-1-2-5-9/h3,6-9,12,15H,1-2,4-5H2,(H,16,17)
InChIKeyZKFBGDQVCQGLSZ-UHFFFAOYSA-N
XLogP3.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloroanilino)-2-cyclohexylacetamide
CID 54892064
2-cyclopropyl-2-(3,5-dichloroanilino)acetic acid
CID 103233225
2-cyclopropyl-2-(3-iodoanilino)acetic acid
CID 103236721
2-(4-chloroanilino)-2-cyclopropylacetic acid
CID 61310557
3-chloro-N-(1-cyclohexylethyl)aniline
CID 43762066
2-(3-chloroanilino)-2-cyclopentylacetonitrile
CID 62071246
1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea
CID 61124429
2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid
CID 55108280
2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide
CID 54892109
2-(4-chloro-2-cyanoanilino)-2-cyclohexylacetic acid
CID 62494148
2-(3-bromoanilino)-2-cyclopentylacetamide
CID 62069844
2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid
CID 79970774

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-cyclopentylacetic acid?
The IUPAC name of 2-(3-chloroanilino)-2-cyclopentylacetic acid (CID 55035047) is 2-(3-chloroanilino)-2-cyclopentylacetic acid.
What is the SMILES notation for 2-(3-chloroanilino)-2-cyclopentylacetic acid?
The canonical SMILES for 2-(3-chloroanilino)-2-cyclopentylacetic acid is O=C(O)C(Nc1cccc(Cl)c1)C1CCCC1.
What is the InChIKey of 2-(3-chloroanilino)-2-cyclopentylacetic acid?
The InChIKey is ZKFBGDQVCQGLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-10-6-3-7-11(8-10)15-12(13(16)17)9-4-1-2-5-9/h3,6-9,12,15H,1-2,4-5H2,(H,16,17).
What are the key properties of 2-(3-chloroanilino)-2-cyclopentylacetic acid?
2-(3-chloroanilino)-2-cyclopentylacetic acid has a molecular weight of 253.73 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-2-cyclopentylacetic acid is sourced from PubChem (CID 55035047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).