2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid

C15H18ClNO3 — CID 60826489

IUPAC2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)CC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c16-12-5-7-13(8-6-12)17(10-15(19)20)14(18)9-11-3-1-2-4-11/h5-8,11H,1-4,9-10H2,(H,19,20)
InChIKeyFUJRTNVMOVGXPQ-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.34
Rot. Bonds5

About 2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid

2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid (PubChem CID 60826489) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid
PubChem CID60826489
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)CC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c16-12-5-7-13(8-6-12)17(10-15(19)20)14(18)9-11-3-1-2-4-11/h5-8,11H,1-4,9-10H2,(H,19,20)
InChIKeyFUJRTNVMOVGXPQ-UHFFFAOYSA-N
XLogP3.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid?
The IUPAC name of 2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid (CID 60826489) is 2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid?
The canonical SMILES for 2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid is O=C(O)CN(C(=O)CC1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid?
The InChIKey is FUJRTNVMOVGXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-12-5-7-13(8-6-12)17(10-15(19)20)14(18)9-11-3-1-2-4-11/h5-8,11H,1-4,9-10H2,(H,19,20).
What are the key properties of 2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid?
2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid has a molecular weight of 295.77 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid is sourced from PubChem (CID 60826489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).