2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid

C20H21NO3 — CID 119352047

IUPAC2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1
InChIInChI=1S/C20H21NO3/c22-18(23)14-15-7-6-10-17(13-15)21-19(24)20(11-4-5-12-20)16-8-2-1-3-9-16/h1-3,6-10,13H,4-5,11-12,14H2,(H,21,24)(H,22,23)
InChIKeyYAOTZSRATSGAQW-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.76
Rot. Bonds5

About 2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid

2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid (PubChem CID 119352047) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
PubChem CID119352047
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1
InChIInChI=1S/C20H21NO3/c22-18(23)14-15-7-6-10-17(13-15)21-19(24)20(11-4-5-12-20)16-8-2-1-3-9-16/h1-3,6-10,13H,4-5,11-12,14H2,(H,21,24)(H,22,23)
InChIKeyYAOTZSRATSGAQW-UHFFFAOYSA-N
XLogP3.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid
CID 122108126
2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 120530680
2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119351837
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 119351811
N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 1108208
2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid
CID 79854322
ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 4162614
2-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240738
N-[4-(2-hydroxyethyl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 5073224
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide
CID 95619879

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid (CID 119352047) is 2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1.
What is the InChIKey of 2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid?
The InChIKey is YAOTZSRATSGAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c22-18(23)14-15-7-6-10-17(13-15)21-19(24)20(11-4-5-12-20)16-8-2-1-3-9-16/h1-3,6-10,13H,4-5,11-12,14H2,(H,21,24)(H,22,23).
What are the key properties of 2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid?
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid has a molecular weight of 323.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 119352047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).