2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide

C19H18ClFN2O4 — CID 7255708

IUPAC2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide
SMILESCOc1ccc(N2C[C@H](NC(=O)c3c(F)cccc3Cl)CC2=O)cc1OC
InChIInChI=1S/C19H18ClFN2O4/c1-26-15-7-6-12(9-16(15)27-2)23-10-11(8-17(23)24)22-19(25)18-13(20)4-3-5-14(18)21/h3-7,9,11H,8,10H2,1-2H3,(H,22,25)/t11-/m1/s1
InChIKeyAFAGBJQHFHOWTF-LLVKDONJSA-N
MW392.81 g/mol
LogP3.03
Rot. Bonds5

About 2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide

2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide (PubChem CID 7255708) has the molecular formula C19H18ClFN2O4 and a molecular weight of 392.81 g/mol. Its IUPAC name is 2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide
PubChem CID7255708
Molecular FormulaC19H18ClFN2O4
Molecular Weight392.81 g/mol
Exact Mass392.09
IUPAC Name2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide
SMILESCOc1ccc(N2C[C@H](NC(=O)c3c(F)cccc3Cl)CC2=O)cc1OC
InChIInChI=1S/C19H18ClFN2O4/c1-26-15-7-6-12(9-16(15)27-2)23-10-11(8-17(23)24)22-19(25)18-13(20)4-3-5-14(18)21/h3-7,9,11H,8,10H2,1-2H3,(H,22,25)/t11-/m1/s1
InChIKeyAFAGBJQHFHOWTF-LLVKDONJSA-N
XLogP3.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.81
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-fluoro-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548589
3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7564303
5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 7255711
2,6-difluoro-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43970989
1-(2,3-dichlorophenyl)-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 41128760
2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736524
2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547250
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-fluorophenoxy)acetamide
CID 7255738
2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971184
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 7564250
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 7255751
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 43971351

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide (CID 7255708) is 2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide is COc1ccc(N2C[C@H](NC(=O)c3c(F)cccc3Cl)CC2=O)cc1OC.
What is the InChIKey of 2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide?
The InChIKey is AFAGBJQHFHOWTF-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18ClFN2O4/c1-26-15-7-6-12(9-16(15)27-2)23-10-11(8-17(23)24)22-19(25)18-13(20)4-3-5-14(18)21/h3-7,9,11H,8,10H2,1-2H3,(H,22,25)/t11-/m1/s1.
What are the key properties of 2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide?
2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide has a molecular weight of 392.81 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide is sourced from PubChem (CID 7255708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).