1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide

C21H22Cl2N2O2 — CID 23905377

IUPAC1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1ccc(N2CC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1
InChIInChI=1S/C21H22Cl2N2O2/c1-2-3-4-14-5-8-17(9-6-14)25-13-15(11-20(25)26)21(27)24-16-7-10-18(22)19(23)12-16/h5-10,12,15H,2-4,11,13H2,1H3,(H,24,27)
InChIKeyQDTCDZNVAMHDPT-UHFFFAOYSA-N
MW405.33 g/mol
LogP5.33
Rot. Bonds6

About 1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide

1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 23905377) has the molecular formula C21H22Cl2N2O2 and a molecular weight of 405.33 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID23905377
Molecular FormulaC21H22Cl2N2O2
Molecular Weight405.33 g/mol
Exact Mass404.11
IUPAC Name1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCc1ccc(N2CC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1
InChIInChI=1S/C21H22Cl2N2O2/c1-2-3-4-14-5-8-17(9-6-14)25-13-15(11-20(25)26)21(27)24-16-7-10-18(22)19(23)12-16/h5-10,12,15H,2-4,11,13H2,1H3,(H,24,27)
InChIKeyQDTCDZNVAMHDPT-UHFFFAOYSA-N
XLogP5.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.33
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3107620
(3R)-N-(4-bromo-3-chlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528964
1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47160631
1-(1,3-benzodioxol-5-yl)-N-(4-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108791224
N-(4-butylphenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55569865
(3R)-N-(4-chloro-3-nitrophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388767
N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3098865
1-(4-butylphenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 46581289
N-(3,5-dichlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081984
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42932599
(3R)-N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2253384
N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2856431

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 23905377) is 1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is CCCCc1ccc(N2CC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QDTCDZNVAMHDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O2/c1-2-3-4-14-5-8-17(9-6-14)25-13-15(11-20(25)26)21(27)24-16-7-10-18(22)19(23)12-16/h5-10,12,15H,2-4,11,13H2,1H3,(H,24,27).
What are the key properties of 1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 405.33 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 23905377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).