2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid

C20H20ClNO4 — CID 100665395

IUPAC2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C20H20ClNO4/c21-15-5-3-14(4-6-15)20(11-1-2-12-20)19(25)22-16-7-9-17(10-8-16)26-13-18(23)24/h3-10H,1-2,11-13H2,(H,22,25)(H,23,24)
InChIKeyIHYWYGIPOQOWDG-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.25
Rot. Bonds6

About 2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid

2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid (PubChem CID 100665395) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
PubChem CID100665395
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C20H20ClNO4/c21-15-5-3-14(4-6-15)20(11-1-2-12-20)19(25)22-16-7-9-17(10-8-16)26-13-18(23)24/h3-10H,1-2,11-13H2,(H,22,25)(H,23,24)
InChIKeyIHYWYGIPOQOWDG-UHFFFAOYSA-N
XLogP4.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100668327
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284
1-(4-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100665527
1-(4-chlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100665537
1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide
CID 100781332
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
1-(4-chlorophenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclobutane-1-carboxamide
CID 55882122
1-(4-chlorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 100665731
2-[4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]phenoxy]acetic acid
CID 115448556
4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide
CID 100781339
1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 133188306

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid (CID 100665395) is 2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1.
What is the InChIKey of 2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid?
The InChIKey is IHYWYGIPOQOWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO4/c21-15-5-3-14(4-6-15)20(11-1-2-12-20)19(25)22-16-7-9-17(10-8-16)26-13-18(23)24/h3-10H,1-2,11-13H2,(H,22,25)(H,23,24).
What are the key properties of 2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid?
2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid has a molecular weight of 373.84 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 100665395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).