N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C15H20ClN3O2 — CID 119630418

IUPACN-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(N)CNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClN3O2/c1-15(2,17)9-18-14(21)10-7-13(20)19(8-10)12-5-3-11(16)4-6-12/h3-6,10H,7-9,17H2,1-2H3,(H,18,21)
InChIKeySWGPROUSKYEHQD-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.55
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 119630418) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID119630418
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(N)CNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClN3O2/c1-15(2,17)9-18-14(21)10-7-13(20)19(8-10)12-5-3-11(16)4-6-12/h3-6,10H,7-9,17H2,1-2H3,(H,18,21)
InChIKeySWGPROUSKYEHQD-UHFFFAOYSA-N
XLogP1.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249485
N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119628581
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
tert-butyl N-[2-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 29131189
(3S)-1-(4-chlorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 774264
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 6463324
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 119630418) is N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is CC(C)(N)CNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SWGPROUSKYEHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-15(2,17)9-18-14(21)10-7-13(20)19(8-10)12-5-3-11(16)4-6-12/h3-6,10H,7-9,17H2,1-2H3,(H,18,21).
What are the key properties of N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119630418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).