(2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide

C18H24ClN3O3 — CID 52813858

IUPAC(2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)[C@@H](C(=O)N(C)CC(=O)Nc1cccc(Cl)c1)N1CCCC1=O
InChIInChI=1S/C18H24ClN3O3/c1-12(2)17(22-9-5-8-16(22)24)18(25)21(3)11-15(23)20-14-7-4-6-13(19)10-14/h4,6-7,10,12,17H,5,8-9,11H2,1-3H3,(H,20,23)/t17-/m0/s1
InChIKeyKOGXVYVSMWRGLG-KRWDZBQOSA-N
MW365.86 g/mol
LogP2.38
Rot. Bonds6

About (2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide

(2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 52813858) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is (2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID52813858
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name(2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)[C@@H](C(=O)N(C)CC(=O)Nc1cccc(Cl)c1)N1CCCC1=O
InChIInChI=1S/C18H24ClN3O3/c1-12(2)17(22-9-5-8-16(22)24)18(25)21(3)11-15(23)20-14-7-4-6-13(19)10-14/h4,6-7,10,12,17H,5,8-9,11H2,1-3H3,(H,20,23)/t17-/m0/s1
InChIKeyKOGXVYVSMWRGLG-KRWDZBQOSA-N
XLogP2.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide with MolForge

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Related Compounds

(2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294392
2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41334479
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719168
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381
N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide
CID 47088898
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 38624834
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 56503664
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294380
1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119294398
4-chloro-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 33292387
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55654055
N-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide
CID 38644459

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide (CID 52813858) is (2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide is CC(C)[C@@H](C(=O)N(C)CC(=O)Nc1cccc(Cl)c1)N1CCCC1=O.
What is the InChIKey of (2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is KOGXVYVSMWRGLG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-12(2)17(22-9-5-8-16(22)24)18(25)21(3)11-15(23)20-14-7-4-6-13(19)10-14/h4,6-7,10,12,17H,5,8-9,11H2,1-3H3,(H,20,23)/t17-/m0/s1.
What are the key properties of (2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide?
(2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 365.86 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 52813858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).