(3S)-N-(4-amino-3,5-dichlorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H19Cl2N3O2 — CID 51858383

IUPAC(3S)-N-(4-amino-3,5-dichlorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2C[C@@H](C(=O)Nc3cc(Cl)c(N)c(Cl)c3)CC2=O)cc1
InChIInChI=1S/C19H19Cl2N3O2/c1-11-2-4-12(5-3-11)9-24-10-13(6-17(24)25)19(26)23-14-7-15(20)18(22)16(21)8-14/h2-5,7-8,13H,6,9-10,22H2,1H3,(H,23,26)/t13-/m0/s1
InChIKeyFRXWONAMUSYVHP-ZDUSSCGKSA-N
MW392.29 g/mol
LogP3.87
Rot. Bonds4

About (3S)-N-(4-amino-3,5-dichlorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-(4-amino-3,5-dichlorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 51858383) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is (3S)-N-(4-amino-3,5-dichlorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-amino-3,5-dichlorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID51858383
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name(3S)-N-(4-amino-3,5-dichlorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2C[C@@H](C(=O)Nc3cc(Cl)c(N)c(Cl)c3)CC2=O)cc1
InChIInChI=1S/C19H19Cl2N3O2/c1-11-2-4-12(5-3-11)9-24-10-13(6-17(24)25)19(26)23-14-7-15(20)18(22)16(21)8-14/h2-5,7-8,13H,6,9-10,22H2,1H3,(H,23,26)/t13-/m0/s1
InChIKeyFRXWONAMUSYVHP-ZDUSSCGKSA-N
XLogP3.87
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7733138
(3S)-N-(4-chloro-3-nitrophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 35672102
(3R)-N-(4-chloro-3-nitrophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 35672107
N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 45132860
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55891516
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51064472
(3S)-1-[(4-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017840
3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 50928066
ethyl 4-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8885474
N-(3,4-dichlorophenyl)-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183358
(3S)-1-[(4-methylphenyl)methyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7409309
(3R)-N-(4-chloro-2-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7774556

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-amino-3,5-dichlorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-amino-3,5-dichlorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 51858383) is (3S)-N-(4-amino-3,5-dichlorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-amino-3,5-dichlorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-amino-3,5-dichlorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CN2C[C@@H](C(=O)Nc3cc(Cl)c(N)c(Cl)c3)CC2=O)cc1.
What is the InChIKey of (3S)-N-(4-amino-3,5-dichlorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FRXWONAMUSYVHP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-11-2-4-12(5-3-11)9-24-10-13(6-17(24)25)19(26)23-14-7-15(20)18(22)16(21)8-14/h2-5,7-8,13H,6,9-10,22H2,1H3,(H,23,26)/t13-/m0/s1.
What are the key properties of (3S)-N-(4-amino-3,5-dichlorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(4-amino-3,5-dichlorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 392.29 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-amino-3,5-dichlorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51858383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).