3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide

C18H16F2N2O3 — CID 7548178

IUPAC3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCOc1cccc(N2C[C@H](NC(=O)c3ccc(F)c(F)c3)CC2=O)c1
InChIInChI=1S/C18H16F2N2O3/c1-25-14-4-2-3-13(9-14)22-10-12(8-17(22)23)21-18(24)11-5-6-15(19)16(20)7-11/h2-7,9,12H,8,10H2,1H3,(H,21,24)/t12-/m1/s1
InChIKeySEWQGGWLINIUAJ-GFCCVEGCSA-N
MW346.33 g/mol
LogP2.51
Rot. Bonds4

About 3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide

3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 7548178) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is 3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
PubChem CID7548178
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCOc1cccc(N2C[C@H](NC(=O)c3ccc(F)c(F)c3)CC2=O)c1
InChIInChI=1S/C18H16F2N2O3/c1-25-14-4-2-3-13(9-14)22-10-12(8-17(22)23)21-18(24)11-5-6-15(19)16(20)7-11/h2-7,9,12H,8,10H2,1H3,(H,21,24)/t12-/m1/s1
InChIKeySEWQGGWLINIUAJ-GFCCVEGCSA-N
XLogP2.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822178
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
CID 7563379
3,4-difluoro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563424
3-chloro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548145
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 7255153
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-propan-2-yloxybenzamide
CID 7548095
3,4,5-trimethoxy-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43970933
3,4,5-trimethoxy-N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548122
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563649
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7548189
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide (CID 7548178) is 3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide is COc1cccc(N2C[C@H](NC(=O)c3ccc(F)c(F)c3)CC2=O)c1.
What is the InChIKey of 3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is SEWQGGWLINIUAJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c1-25-14-4-2-3-13(9-14)22-10-12(8-17(22)23)21-18(24)11-5-6-15(19)16(20)7-11/h2-7,9,12H,8,10H2,1H3,(H,21,24)/t12-/m1/s1.
What are the key properties of 3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 346.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 7548178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).