(2S)-N-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

C15H18ClFN2O2 — CID 97337805

IUPAC(2S)-N-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@@H](C(=O)N(C)c1ccc(F)c(Cl)c1)N1CCCC1=O
InChIInChI=1S/C15H18ClFN2O2/c1-3-13(19-8-4-5-14(19)20)15(21)18(2)10-6-7-12(17)11(16)9-10/h6-7,9,13H,3-5,8H2,1-2H3/t13-/m0/s1
InChIKeyNYAXFLQRHIJOCB-ZDUSSCGKSA-N
MW312.77 g/mol
LogP2.84
Rot. Bonds4

About (2S)-N-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

(2S)-N-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 97337805) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID97337805
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name(2S)-N-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@@H](C(=O)N(C)c1ccc(F)c(Cl)c1)N1CCCC1=O
InChIInChI=1S/C15H18ClFN2O2/c1-3-13(19-8-4-5-14(19)20)15(21)18(2)10-6-7-12(17)11(16)9-10/h6-7,9,13H,3-5,8H2,1-2H3/t13-/m0/s1
InChIKeyNYAXFLQRHIJOCB-ZDUSSCGKSA-N
XLogP2.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2S)-N-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CID 97337805) is (2S)-N-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2S)-N-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is CC[C@@H](C(=O)N(C)c1ccc(F)c(Cl)c1)N1CCCC1=O.
What is the InChIKey of (2S)-N-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is NYAXFLQRHIJOCB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c1-3-13(19-8-4-5-14(19)20)15(21)18(2)10-6-7-12(17)11(16)9-10/h6-7,9,13H,3-5,8H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
(2S)-N-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 312.77 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-fluorophenyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 97337805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).