(3S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

C18H16Cl2N2O3 — CID 1079958

IUPAC(3S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1
InChIInChI=1S/C18H16Cl2N2O3/c19-13-2-1-11(16(20)8-13)10-25-15-5-3-14(4-6-15)22-9-12(18(21)24)7-17(22)23/h1-6,8,12H,7,9-10H2,(H2,21,24)/t12-/m0/s1
InChIKeyNRWBEPUETOBIPO-LBPRGKRZSA-N
MW379.24 g/mol
LogP3.41
Rot. Bonds5

About (3S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 1079958) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is (3S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID1079958
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name(3S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1
InChIInChI=1S/C18H16Cl2N2O3/c19-13-2-1-11(16(20)8-13)10-25-15-5-3-14(4-6-15)22-9-12(18(21)24)7-17(22)23/h1-6,8,12H,7,9-10H2,(H2,21,24)/t12-/m0/s1
InChIKeyNRWBEPUETOBIPO-LBPRGKRZSA-N
XLogP3.41
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 3514336
1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697856
(3S)-1-(4-butoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2174533
(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 99969292
[2-(2,4-dichlorophenyl)-2-oxoethyl] (3R)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylate
CID 126007020
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
methyl (3R)-1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 1272534
methyl 1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 5165669
(2-chloro-6-fluorophenyl)methyl 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 3392488
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
1-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 3996571
(3R)-1-[4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 1079906

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 1079958) is (3S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is NC(=O)[C@H]1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1.
What is the InChIKey of (3S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NRWBEPUETOBIPO-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c19-13-2-1-11(16(20)8-13)10-25-15-5-3-14(4-6-15)22-9-12(18(21)24)7-17(22)23/h1-6,8,12H,7,9-10H2,(H2,21,24)/t12-/m0/s1.
What are the key properties of (3S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 379.24 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 1079958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).