5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide

C19H17BrN2O3 — CID 55692986

IUPAC5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)o1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C19H17BrN2O3/c1-13(22-19(23)17-8-9-18(20)25-17)15-4-6-16(7-5-15)24-12-14-3-2-10-21-11-14/h2-11,13H,12H2,1H3,(H,22,23)
InChIKeyICTXMRDGDSIXKK-UHFFFAOYSA-N
MW401.26 g/mol
LogP4.51
Rot. Bonds6

About 5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide

5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide (PubChem CID 55692986) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is 5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
PubChem CID55692986
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC Name5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)o1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C19H17BrN2O3/c1-13(22-19(23)17-8-9-18(20)25-17)15-4-6-16(7-5-15)24-12-14-3-2-10-21-11-14/h2-11,13H,12H2,1H3,(H,22,23)
InChIKeyICTXMRDGDSIXKK-UHFFFAOYSA-N
XLogP4.51
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methoxymethyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 78872272
4-bromo-5-propan-2-yl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide
CID 56567640
2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 46454003
2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 55967852
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-2H-chromene-3-carboxamide
CID 55706047
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55838629
1-(2,2-difluoroethyl)-1-methyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 71879259
1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 97020773
2-(2-phenylethoxy)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86871872
N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide
CID 55693376
5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 51658233
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide (CID 55692986) is 5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide is CC(NC(=O)c1ccc(Br)o1)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide?
The InChIKey is ICTXMRDGDSIXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-13(22-19(23)17-8-9-18(20)25-17)15-4-6-16(7-5-15)24-12-14-3-2-10-21-11-14/h2-11,13H,12H2,1H3,(H,22,23).
What are the key properties of 5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide?
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide has a molecular weight of 401.26 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 55692986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).