N-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide

C15H19ClN2O3 — CID 71867206

IUPACN-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(OC)cc1Cl)N1CCCC1=O
InChIInChI=1S/C15H19ClN2O3/c1-3-13(18-8-4-5-14(18)19)15(20)17-12-7-6-10(21-2)9-11(12)16/h6-7,9,13H,3-5,8H2,1-2H3,(H,17,20)
InChIKeyFPIRMMZPCPPQKS-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.69
Rot. Bonds5

About N-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide

N-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 71867206) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID71867206
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC NameN-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)Nc1ccc(OC)cc1Cl)N1CCCC1=O
InChIInChI=1S/C15H19ClN2O3/c1-3-13(18-8-4-5-14(18)19)15(20)17-12-7-6-10(21-2)9-11(12)16/h6-7,9,13H,3-5,8H2,1-2H3,(H,17,20)
InChIKeyFPIRMMZPCPPQKS-UHFFFAOYSA-N
XLogP2.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95906047
(2S)-N-(3-chloro-4-nitrophenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 97338133
N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide
CID 115188142
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide
CID 86857995
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707
N-(3-bromo-2-pyridinyl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 71980567
N-(2-chloro-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 115178559
2-hydroxy-4-methoxy-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]benzamide
CID 95303219
2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid
CID 82500241
N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
CID 110777920
N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide
CID 86857982

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide (CID 71867206) is N-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide is CCC(C(=O)Nc1ccc(OC)cc1Cl)N1CCCC1=O.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is FPIRMMZPCPPQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-3-13(18-8-4-5-14(18)19)15(20)17-12-7-6-10(21-2)9-11(12)16/h6-7,9,13H,3-5,8H2,1-2H3,(H,17,20).
What are the key properties of N-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
N-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 310.78 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 71867206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).