N-[2-(dimethylamino)ethyl]-5-fluoro-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C19H22FN3O2 — CID 75372983

IUPACN-[2-(dimethylamino)ethyl]-5-fluoro-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(C)CCN(Cc1ccncc1)C(=O)C1Cc2cc(F)ccc2O1
InChIInChI=1S/C19H22FN3O2/c1-22(2)9-10-23(13-14-5-7-21-8-6-14)19(24)18-12-15-11-16(20)3-4-17(15)25-18/h3-8,11,18H,9-10,12-13H2,1-2H3
InChIKeyJBMPFEDTFXMHSE-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.11
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-5-fluoro-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-fluoro-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 75372983) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-fluoro-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-fluoro-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID75372983
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[2-(dimethylamino)ethyl]-5-fluoro-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(C)CCN(Cc1ccncc1)C(=O)C1Cc2cc(F)ccc2O1
InChIInChI=1S/C19H22FN3O2/c1-22(2)9-10-23(13-14-5-7-21-8-6-14)19(24)18-12-15-11-16(20)3-4-17(15)25-18/h3-8,11,18H,9-10,12-13H2,1-2H3
InChIKeyJBMPFEDTFXMHSE-UHFFFAOYSA-N
XLogP2.11
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-fluoro-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-fluoro-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 75372983) is N-[2-(dimethylamino)ethyl]-5-fluoro-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-fluoro-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-fluoro-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is CN(C)CCN(Cc1ccncc1)C(=O)C1Cc2cc(F)ccc2O1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-fluoro-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is JBMPFEDTFXMHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-22(2)9-10-23(13-14-5-7-21-8-6-14)19(24)18-12-15-11-16(20)3-4-17(15)25-18/h3-8,11,18H,9-10,12-13H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-5-fluoro-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-fluoro-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-fluoro-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 75372983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).