5-bromo-N-(cyclopropylmethyl)-N-pyridin-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide

C18H17BrN2O2 — CID 75433756

IUPAC5-bromo-N-(cyclopropylmethyl)-N-pyridin-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(C1COc2ccc(Br)cc21)N(CC1CC1)c1cccnc1
InChIInChI=1S/C18H17BrN2O2/c19-13-5-6-17-15(8-13)16(11-23-17)18(22)21(10-12-3-4-12)14-2-1-7-20-9-14/h1-2,5-9,12,16H,3-4,10-11H2
InChIKeyCSNLRGXNQPITAZ-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.76
Rot. Bonds4

About 5-bromo-N-(cyclopropylmethyl)-N-pyridin-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide

5-bromo-N-(cyclopropylmethyl)-N-pyridin-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 75433756) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 5-bromo-N-(cyclopropylmethyl)-N-pyridin-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(cyclopropylmethyl)-N-pyridin-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID75433756
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name5-bromo-N-(cyclopropylmethyl)-N-pyridin-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(C1COc2ccc(Br)cc21)N(CC1CC1)c1cccnc1
InChIInChI=1S/C18H17BrN2O2/c19-13-5-6-17-15(8-13)16(11-23-17)18(22)21(10-12-3-4-12)14-2-1-7-20-9-14/h1-2,5-9,12,16H,3-4,10-11H2
InChIKeyCSNLRGXNQPITAZ-UHFFFAOYSA-N
XLogP3.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclopropylmethyl)-N-pyridin-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of 5-bromo-N-(cyclopropylmethyl)-N-pyridin-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide (CID 75433756) is 5-bromo-N-(cyclopropylmethyl)-N-pyridin-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(cyclopropylmethyl)-N-pyridin-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-bromo-N-(cyclopropylmethyl)-N-pyridin-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide is O=C(C1COc2ccc(Br)cc21)N(CC1CC1)c1cccnc1.
What is the InChIKey of 5-bromo-N-(cyclopropylmethyl)-N-pyridin-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is CSNLRGXNQPITAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c19-13-5-6-17-15(8-13)16(11-23-17)18(22)21(10-12-3-4-12)14-2-1-7-20-9-14/h1-2,5-9,12,16H,3-4,10-11H2.
What are the key properties of 5-bromo-N-(cyclopropylmethyl)-N-pyridin-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide?
5-bromo-N-(cyclopropylmethyl)-N-pyridin-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 373.25 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclopropylmethyl)-N-pyridin-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 75433756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).