N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide

C18H16F2N2O4 — CID 166073714

IUPACN-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(Oc2ccc(F)c(F)c2)cc1NC(=O)C1CCC(=O)N1
InChIInChI=1S/C18H16F2N2O4/c1-25-16-6-3-11(26-10-2-4-12(19)13(20)8-10)9-15(16)22-18(24)14-5-7-17(23)21-14/h2-4,6,8-9,14H,5,7H2,1H3,(H,21,23)(H,22,24)
InChIKeyRLYZAWJJTPZUBG-UHFFFAOYSA-N
MW362.33 g/mol
LogP2.98
Rot. Bonds5

About N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide

N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 166073714) has the molecular formula C18H16F2N2O4 and a molecular weight of 362.33 g/mol. Its IUPAC name is N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID166073714
Molecular FormulaC18H16F2N2O4
Molecular Weight362.33 g/mol
Exact Mass362.11
IUPAC NameN-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(Oc2ccc(F)c(F)c2)cc1NC(=O)C1CCC(=O)N1
InChIInChI=1S/C18H16F2N2O4/c1-25-16-6-3-11(26-10-2-4-12(19)13(20)8-10)9-15(16)22-18(24)14-5-7-17(23)21-14/h2-4,6,8-9,14H,5,7H2,1H3,(H,21,23)(H,22,24)
InChIKeyRLYZAWJJTPZUBG-UHFFFAOYSA-N
XLogP2.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416
N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-sulfanylidenepyrrolidine-2-carboxamide
CID 166073849
N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073875
N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 166073765
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
(3R)-N-(2,5-dimethoxyphenyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 100825016
N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 23856712
N-(2-amino-5-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420928
N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide
CID 110696823
N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792994
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 42889996

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide (CID 166073714) is N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide is COc1ccc(Oc2ccc(F)c(F)c2)cc1NC(=O)C1CCC(=O)N1.
What is the InChIKey of N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RLYZAWJJTPZUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O4/c1-25-16-6-3-11(26-10-2-4-12(19)13(20)8-10)9-15(16)22-18(24)14-5-7-17(23)21-14/h2-4,6,8-9,14H,5,7H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide?
N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 362.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 166073714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).