2-[1-[2-(2-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid

C15H18ClNO3 — CID 929631

IUPAC2-[1-[2-(2-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2ccccc2Cl)CCCC1
InChIInChI=1S/C15H18ClNO3/c16-11-5-1-2-6-12(11)17-13(18)9-15(10-14(19)20)7-3-4-8-15/h1-2,5-6H,3-4,7-10H2,(H,17,18)(H,19,20)
InChIKeyZRUUWTAMUMDZHF-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.70
Rot. Bonds5

About 2-[1-[2-(2-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(2-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 929631) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[1-[2-(2-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID929631
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name2-[1-[2-(2-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2ccccc2Cl)CCCC1
InChIInChI=1S/C15H18ClNO3/c16-11-5-1-2-6-12(11)17-13(18)9-15(10-14(19)20)7-3-4-8-15/h1-2,5-6H,3-4,7-10H2,(H,17,18)(H,19,20)
InChIKeyZRUUWTAMUMDZHF-UHFFFAOYSA-N
XLogP3.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(2-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid (CID 929631) is 2-[1-[2-(2-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)Nc2ccccc2Cl)CCCC1.
What is the InChIKey of 2-[1-[2-(2-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is ZRUUWTAMUMDZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-11-5-1-2-6-12(11)17-13(18)9-15(10-14(19)20)7-3-4-8-15/h1-2,5-6H,3-4,7-10H2,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[2-(2-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(2-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 295.77 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 929631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).