N-[(2,4-dichlorophenyl)methyl]-1-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide

C19H16Cl2F2N2O3 — CID 166541491

IUPACN-[(2,4-dichlorophenyl)methyl]-1-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C1CC(=O)N(c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C19H16Cl2F2N2O3/c20-13-5-4-11(16(21)7-13)9-24-18(27)12-6-17(26)25(10-12)14-2-1-3-15(8-14)28-19(22)23/h1-5,7-8,12,19H,6,9-10H2,(H,24,27)
InChIKeyYJVFRFKNVWNTPD-UHFFFAOYSA-N
MW429.25 g/mol
LogP4.26
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-1-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide

N-[(2,4-dichlorophenyl)methyl]-1-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 166541491) has the molecular formula C19H16Cl2F2N2O3 and a molecular weight of 429.25 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID166541491
Molecular FormulaC19H16Cl2F2N2O3
Molecular Weight429.25 g/mol
Exact Mass428.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C1CC(=O)N(c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C19H16Cl2F2N2O3/c20-13-5-4-11(16(21)7-13)9-24-18(27)12-6-17(26)25(10-12)14-2-1-3-15(8-14)28-19(22)23/h1-5,7-8,12,19H,6,9-10H2,(H,24,27)
InChIKeyYJVFRFKNVWNTPD-UHFFFAOYSA-N
XLogP4.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017561
(3S)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29134760
(3S)-N-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41369270
N-[[3-(difluoromethoxy)phenyl]methyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 49337447
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7927985
N-[(4-chlorophenyl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188634
1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187995
(3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 94348927
1-(3-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 46581333
(3S)-1-(3-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 29094847
1-(3-chlorophenyl)-N-[2-[(3-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42953112
1-[3-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide
CID 166541415

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 166541491) is N-[(2,4-dichlorophenyl)methyl]-1-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)C1CC(=O)N(c2cccc(OC(F)F)c2)C1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YJVFRFKNVWNTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F2N2O3/c20-13-5-4-11(16(21)7-13)9-24-18(27)12-6-17(26)25(10-12)14-2-1-3-15(8-14)28-19(22)23/h1-5,7-8,12,19H,6,9-10H2,(H,24,27).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-1-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 429.25 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1-[3-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166541491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).