N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C19H18ClFN2O2 — CID 43024563

IUPACN-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(c2ccccc2F)C1)c1cccc(Cl)c1
InChIInChI=1S/C19H18ClFN2O2/c1-12(13-5-4-6-15(20)9-13)22-19(25)14-10-18(24)23(11-14)17-8-3-2-7-16(17)21/h2-9,12,14H,10-11H2,1H3,(H,22,25)
InChIKeyRTNGACWGGGRSJB-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.71
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 43024563) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID43024563
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CC(=O)N(c2ccccc2F)C1)c1cccc(Cl)c1
InChIInChI=1S/C19H18ClFN2O2/c1-12(13-5-4-6-15(20)9-13)22-19(25)14-10-18(24)23(11-14)17-8-3-2-7-16(17)21/h2-9,12,14H,10-11H2,1H3,(H,22,25)
InChIKeyRTNGACWGGGRSJB-UHFFFAOYSA-N
XLogP3.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 51175319
1-(2-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43022713
1-(2-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55637454
(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 684343
(3R)-1-(2-methylphenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41178267
1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 16557109
N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55358717
1-(2-fluorophenyl)-N-[1-(3-fluoro-4-pyridinyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 166181824
1-(2-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46586593
(3S)-N-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30932440
1-(2-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46663719
(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529003

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 43024563) is N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is CC(NC(=O)C1CC(=O)N(c2ccccc2F)C1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RTNGACWGGGRSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-12(13-5-4-6-15(20)9-13)22-19(25)14-10-18(24)23(11-14)17-8-3-2-7-16(17)21/h2-9,12,14H,10-11H2,1H3,(H,22,25).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 360.82 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43024563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).