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

C24H27FN2O3 — CID 11281317

IUPAC3-[3-(1-benzofuran-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCN(CCCc1coc2ccccc12)C1COc2c(F)ccc(C(N)=O)c2C1
InChIInChI=1S/C24H27FN2O3/c1-2-11-27(12-5-6-16-14-29-22-8-4-3-7-18(16)22)17-13-20-19(24(26)28)9-10-21(25)23(20)30-15-17/h3-4,7-10,14,17H,2,5-6,11-13,15H2,1H3,(H2,26,28)
InChIKeyMFKYJIXEYVUJNH-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.32
Rot. Bonds8

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

3-[3-(1-benzofuran-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 11281317) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 3-[3-(1-benzofuran-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name3-[3-(1-benzofuran-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID11281317
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name3-[3-(1-benzofuran-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCN(CCCc1coc2ccccc12)C1COc2c(F)ccc(C(N)=O)c2C1
InChIInChI=1S/C24H27FN2O3/c1-2-11-27(12-5-6-16-14-29-22-8-4-3-7-18(16)22)17-13-20-19(24(26)28)9-10-21(25)23(20)30-15-17/h3-4,7-10,14,17H,2,5-6,11-13,15H2,1H3,(H2,26,28)
InChIKeyMFKYJIXEYVUJNH-UHFFFAOYSA-N
XLogP4.32
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(1-benzofuran-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-benzofuran-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of 3-[3-(1-benzofuran-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide (CID 11281317) is 3-[3-(1-benzofuran-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for 3-[3-(1-benzofuran-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for 3-[3-(1-benzofuran-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is CCCN(CCCc1coc2ccccc12)C1COc2c(F)ccc(C(N)=O)c2C1.
What is the InChIKey of 3-[3-(1-benzofuran-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is MFKYJIXEYVUJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-2-11-27(12-5-6-16-14-29-22-8-4-3-7-18(16)22)17-13-20-19(24(26)28)9-10-21(25)23(20)30-15-17/h3-4,7-10,14,17H,2,5-6,11-13,15H2,1H3,(H2,26,28).
What are the key properties of 3-[3-(1-benzofuran-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide?
3-[3-(1-benzofuran-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-benzofuran-3-yl)propyl-propylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 11281317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).