3-[ethyl-[3-(7-methoxy-1-benzofuran-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide

C24H27FN2O4 — CID 69426612

IUPAC3-[ethyl-[3-(7-methoxy-1-benzofuran-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCN(CCCc1coc2c(OC)cccc12)C1COc2c(F)ccc(C(N)=O)c2C1
InChIInChI=1S/C24H27FN2O4/c1-3-27(11-5-6-15-13-30-23-17(15)7-4-8-21(23)29-2)16-12-19-18(24(26)28)9-10-20(25)22(19)31-14-16/h4,7-10,13,16H,3,5-6,11-12,14H2,1-2H3,(H2,26,28)
InChIKeyDPDNZQJXMCJRMK-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.94
Rot. Bonds8

About 3-[ethyl-[3-(7-methoxy-1-benzofuran-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide

3-[ethyl-[3-(7-methoxy-1-benzofuran-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 69426612) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is 3-[ethyl-[3-(7-methoxy-1-benzofuran-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name3-[ethyl-[3-(7-methoxy-1-benzofuran-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID69426612
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC Name3-[ethyl-[3-(7-methoxy-1-benzofuran-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCN(CCCc1coc2c(OC)cccc12)C1COc2c(F)ccc(C(N)=O)c2C1
InChIInChI=1S/C24H27FN2O4/c1-3-27(11-5-6-15-13-30-23-17(15)7-4-8-21(23)29-2)16-12-19-18(24(26)28)9-10-20(25)22(19)31-14-16/h4,7-10,13,16H,3,5-6,11-12,14H2,1-2H3,(H2,26,28)
InChIKeyDPDNZQJXMCJRMK-UHFFFAOYSA-N
XLogP3.94
TPSA77.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[3-(7-methoxy-1-benzofuran-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of 3-[ethyl-[3-(7-methoxy-1-benzofuran-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (CID 69426612) is 3-[ethyl-[3-(7-methoxy-1-benzofuran-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for 3-[ethyl-[3-(7-methoxy-1-benzofuran-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for 3-[ethyl-[3-(7-methoxy-1-benzofuran-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is CCN(CCCc1coc2c(OC)cccc12)C1COc2c(F)ccc(C(N)=O)c2C1.
What is the InChIKey of 3-[ethyl-[3-(7-methoxy-1-benzofuran-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is DPDNZQJXMCJRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-3-27(11-5-6-15-13-30-23-17(15)7-4-8-21(23)29-2)16-12-19-18(24(26)28)9-10-20(25)22(19)31-14-16/h4,7-10,13,16H,3,5-6,11-12,14H2,1-2H3,(H2,26,28).
What are the key properties of 3-[ethyl-[3-(7-methoxy-1-benzofuran-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
3-[ethyl-[3-(7-methoxy-1-benzofuran-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[3-(7-methoxy-1-benzofuran-3-yl)propyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 69426612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).