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

C19H17Cl2FN2O2 — CID 113184309

IUPACN-(3,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1CC(=O)N(CCc2ccccc2F)C1
InChIInChI=1S/C19H17Cl2FN2O2/c20-14-8-15(21)10-16(9-14)23-19(26)13-7-18(25)24(11-13)6-5-12-3-1-2-4-17(12)22/h1-4,8-10,13H,5-7,11H2,(H,23,26)
InChIKeyOVMNTCBDQZCCGE-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.16
Rot. Bonds5

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

N-(3,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113184309) has the molecular formula C19H17Cl2FN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113184309
Molecular FormulaC19H17Cl2FN2O2
Molecular Weight395.26 g/mol
Exact Mass394.07
IUPAC NameN-(3,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1CC(=O)N(CCc2ccccc2F)C1
InChIInChI=1S/C19H17Cl2FN2O2/c20-14-8-15(21)10-16(9-14)23-19(26)13-7-18(25)24(11-13)6-5-12-3-1-2-4-17(12)22/h1-4,8-10,13H,5-7,11H2,(H,23,26)
InChIKeyOVMNTCBDQZCCGE-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184308
N,1-bis[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184221
1-[2-(3-chlorophenyl)ethyl]-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185875
(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529003
1-[2-(4-chlorophenyl)ethyl]-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185071
1-[2-(cyclohexen-1-yl)ethyl]-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182437
1-[(2-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113183678
1-[2-(2-fluorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113184212
N-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 2815650
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 50745087
1-[2-(2,4-dichlorophenyl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185915
(3R)-N-(2,5-dichlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26086140

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 113184309) is N-(3,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)C1CC(=O)N(CCc2ccccc2F)C1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OVMNTCBDQZCCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O2/c20-14-8-15(21)10-16(9-14)23-19(26)13-7-18(25)24(11-13)6-5-12-3-1-2-4-17(12)22/h1-4,8-10,13H,5-7,11H2,(H,23,26).
What are the key properties of N-(3,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-(3,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.26 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113184309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).