2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid

C19H17ClN2O5 — CID 167800809

IUPAC2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)NC2CCN(c3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C19H17ClN2O5/c20-13-4-6-14(7-5-13)22-9-8-16(19(22)26)21-18(25)12-2-1-3-15(10-12)27-11-17(23)24/h1-7,10,16H,8-9,11H2,(H,21,25)(H,23,24)
InChIKeyCXUDSFKIIPKTIZ-UHFFFAOYSA-N
MW388.81 g/mol
LogP2.34
Rot. Bonds6

About 2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid

2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid (PubChem CID 167800809) has the molecular formula C19H17ClN2O5 and a molecular weight of 388.81 g/mol. Its IUPAC name is 2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
PubChem CID167800809
Molecular FormulaC19H17ClN2O5
Molecular Weight388.81 g/mol
Exact Mass388.08
IUPAC Name2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)NC2CCN(c3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C19H17ClN2O5/c20-13-4-6-14(7-5-13)22-9-8-16(19(22)26)21-18(25)12-2-1-3-15(10-12)27-11-17(23)24/h1-7,10,16H,8-9,11H2,(H,21,25)(H,23,24)
InChIKeyCXUDSFKIIPKTIZ-UHFFFAOYSA-N
XLogP2.34
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid with MolForge

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Related Compounds

2-[3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoyl]phenoxy]acetic acid
CID 120551292
5-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119137618
2-[3-[(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)carbamoyl]phenoxy]acetic acid
CID 120552679
3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide
CID 136524635
3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 164634853
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119798470
3,4-dimethoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524569
2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid
CID 120550972
4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234404
3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234414
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid
CID 119185869

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid (CID 167800809) is 2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid is O=C(O)COc1cccc(C(=O)NC2CCN(c3ccc(Cl)cc3)C2=O)c1.
What is the InChIKey of 2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid?
The InChIKey is CXUDSFKIIPKTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5/c20-13-4-6-14(7-5-13)22-9-8-16(19(22)26)21-18(25)12-2-1-3-15(10-12)27-11-17(23)24/h1-7,10,16H,8-9,11H2,(H,21,25)(H,23,24).
What are the key properties of 2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid?
2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid has a molecular weight of 388.81 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 167800809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).