N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C19H20FNO4 — CID 17413559

IUPACN-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)N(C)C(C)c2ccc(F)cc2)cc2c1OCCO2
InChIInChI=1S/C19H20FNO4/c1-12(13-4-6-15(20)7-5-13)21(2)19(22)14-10-16(23-3)18-17(11-14)24-8-9-25-18/h4-7,10-12H,8-9H2,1-3H3
InChIKeyJYHCLAWSUZCITF-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.44
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide

N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 17413559) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID17413559
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)N(C)C(C)c2ccc(F)cc2)cc2c1OCCO2
InChIInChI=1S/C19H20FNO4/c1-12(13-4-6-15(20)7-5-13)21(2)19(22)14-10-16(23-3)18-17(11-14)24-8-9-25-18/h4-7,10-12H,8-9H2,1-3H3
InChIKeyJYHCLAWSUZCITF-UHFFFAOYSA-N
XLogP3.44
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 51267088
5-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 24552661
N-[1-(4-fluorophenyl)ethyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 51267108
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-4-methoxy-N-methylbenzamide
CID 46419830
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860
N-cyclopropyl-5-methoxy-N-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 9479276
3,5-diamino-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 61111115
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 9066972
5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27787649
2-[butan-2-yl-(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]acetic acid
CID 119954487
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 9067200
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 17413559) is N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide is COc1cc(C(=O)N(C)C(C)c2ccc(F)cc2)cc2c1OCCO2.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is JYHCLAWSUZCITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-12(13-4-6-15(20)7-5-13)21(2)19(22)14-10-16(23-3)18-17(11-14)24-8-9-25-18/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 17413559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).