3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide

C18H15Cl2FN2O3 — CID 86939994

IUPAC3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)cc1Cl
InChIInChI=1S/C18H15Cl2FN2O3/c1-26-17-12(19)7-10(8-13(17)20)18(25)22-11-4-5-15(14(21)9-11)23-6-2-3-16(23)24/h4-5,7-9H,2-3,6H2,1H3,(H,22,25)
InChIKeyUPDPDFBXEFEXDS-UHFFFAOYSA-N
MW397.23 g/mol
LogP4.52
Rot. Bonds4

About 3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide

3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide (PubChem CID 86939994) has the molecular formula C18H15Cl2FN2O3 and a molecular weight of 397.23 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide
PubChem CID86939994
Molecular FormulaC18H15Cl2FN2O3
Molecular Weight397.23 g/mol
Exact Mass396.04
IUPAC Name3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)cc1Cl
InChIInChI=1S/C18H15Cl2FN2O3/c1-26-17-12(19)7-10(8-13(17)20)18(25)22-11-4-5-15(14(21)9-11)23-6-2-3-16(23)24/h4-5,7-9H,2-3,6H2,1H3,(H,22,25)
InChIKeyUPDPDFBXEFEXDS-UHFFFAOYSA-N
XLogP4.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylsulfonylbenzamide
CID 86939859
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
2,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686691
4-chloro-N-(4-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042234
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
2,6-difluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686672
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
3-cyclopentyloxy-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 86939694
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 35389984
2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide
CID 120989674

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide (CID 86939994) is 3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide is COc1c(Cl)cc(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide?
The InChIKey is UPDPDFBXEFEXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O3/c1-26-17-12(19)7-10(8-13(17)20)18(25)22-11-4-5-15(14(21)9-11)23-6-2-3-16(23)24/h4-5,7-9H,2-3,6H2,1H3,(H,22,25).
What are the key properties of 3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide?
3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide has a molecular weight of 397.23 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 86939994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).