N-ethyl-6-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide

C19H19FN2O3 — CID 70246920

IUPACN-ethyl-6-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide
SMILESCCNC(=O)c1cc2c(cc1F)C(=O)N(Cc1ccc(OC)cc1)C2
InChIInChI=1S/C19H19FN2O3/c1-3-21-18(23)16-8-13-11-22(19(24)15(13)9-17(16)20)10-12-4-6-14(25-2)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,21,23)
InChIKeyPCHUUAJQTAEXBJ-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.74
Rot. Bonds5

About N-ethyl-6-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide

N-ethyl-6-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide (PubChem CID 70246920) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-ethyl-6-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide
PubChem CID70246920
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-ethyl-6-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide
SMILESCCNC(=O)c1cc2c(cc1F)C(=O)N(Cc1ccc(OC)cc1)C2
InChIInChI=1S/C19H19FN2O3/c1-3-21-18(23)16-8-13-11-22(19(24)15(13)9-17(16)20)10-12-4-6-14(25-2)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,21,23)
InChIKeyPCHUUAJQTAEXBJ-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide
CID 58243523
methyl 2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindole-5-carboxylate
CID 58243740
2-[2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindol-5-yl]acetic acid
CID 174188826
2-[(4-methoxyphenyl)methyl]-5-(3-methylbutanoyl)-3H-isoindol-1-one
CID 58243705
6-fluoro-7-iodo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 130430905
(8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 75368466
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 123844752
methyl 7-fluoro-1-[(4-methoxyphenyl)methyl]-2,3-dioxo-4H-quinoline-6-carboxylate
CID 158445126
3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
CID 132575390
2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 24596002
N-methoxy-2-[(4-methoxyphenyl)methyl]-N-methyl-3-oxo-7-(trifluoromethyl)-1H-isoindole-5-carboxamide
CID 169179758

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide?
The IUPAC name of N-ethyl-6-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide (CID 70246920) is N-ethyl-6-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide.
What is the SMILES notation for N-ethyl-6-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide?
The canonical SMILES for N-ethyl-6-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide is CCNC(=O)c1cc2c(cc1F)C(=O)N(Cc1ccc(OC)cc1)C2.
What is the InChIKey of N-ethyl-6-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide?
The InChIKey is PCHUUAJQTAEXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-3-21-18(23)16-8-13-11-22(19(24)15(13)9-17(16)20)10-12-4-6-14(25-2)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-ethyl-6-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide?
N-ethyl-6-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-2-[(4-methoxyphenyl)methyl]-1-oxo-3H-isoindole-5-carboxamide is sourced from PubChem (CID 70246920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).