(3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide

C21H20ClFN2O3 — CID 7282872

IUPAC(3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3c(F)cccc3Cl)cc2)C1
InChIInChI=1S/C21H20ClFN2O3/c1-2-10-24-21(27)14-11-20(26)25(12-14)15-6-8-16(9-7-15)28-13-17-18(22)4-3-5-19(17)23/h2-9,14H,1,10-13H2,(H,24,27)/t14-/m1/s1
InChIKeyPOOFKXAXLCGYJU-CQSZACIVSA-N
MW402.85 g/mol
LogP3.71
Rot. Bonds7

About (3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide

(3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 7282872) has the molecular formula C21H20ClFN2O3 and a molecular weight of 402.85 g/mol. Its IUPAC name is (3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID7282872
Molecular FormulaC21H20ClFN2O3
Molecular Weight402.85 g/mol
Exact Mass402.11
IUPAC Name(3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3c(F)cccc3Cl)cc2)C1
InChIInChI=1S/C21H20ClFN2O3/c1-2-10-24-21(27)14-11-20(26)25(12-14)15-6-8-16(9-7-15)28-13-17-18(22)4-3-5-19(17)23/h2-9,14H,1,10-13H2,(H,24,27)/t14-/m1/s1
InChIKeyPOOFKXAXLCGYJU-CQSZACIVSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-6-fluorophenyl)methyl 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 3392488
(3R)-1-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 10044051
(3S)-1-[4-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40580732
1-(3-fluorophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 110465285
(3R)-1-(4-methylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 2266184
(2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 19590567
(3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30135344
5-oxo-1-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]-N-prop-2-enylpyrrolidine-3-carboxamide
CID 6486854
(3S)-N-[(Z)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 126258363
(3S)-N-[(Z)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126262577
1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 113189916
(3R)-1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40976970

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide (CID 7282872) is (3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide is C=CCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3c(F)cccc3Cl)cc2)C1.
What is the InChIKey of (3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is POOFKXAXLCGYJU-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20ClFN2O3/c1-2-10-24-21(27)14-11-20(26)25(12-14)15-6-8-16(9-7-15)28-13-17-18(22)4-3-5-19(17)23/h2-9,14H,1,10-13H2,(H,24,27)/t14-/m1/s1.
What are the key properties of (3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide?
(3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 402.85 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 7282872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).