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

C21H21F2N3O2 — CID 11846181

IUPAC(3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESNC(=O)c1ccc(F)c2c1C[C@@H](NCCCc1c[nH]c3ccc(F)cc13)CO2
InChIInChI=1S/C21H21F2N3O2/c22-13-3-6-19-16(8-13)12(10-26-19)2-1-7-25-14-9-17-15(21(24)27)4-5-18(23)20(17)28-11-14/h3-6,8,10,14,25-26H,1-2,7,9,11H2,(H2,24,27)/t14-/m1/s1
InChIKeyAWSJZZTVSOPOLT-CQSZACIVSA-N
MW385.41 g/mol
LogP3.07
Rot. Bonds6

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

(3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 11846181) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is (3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name(3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID11846181
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Name(3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESNC(=O)c1ccc(F)c2c1C[C@@H](NCCCc1c[nH]c3ccc(F)cc13)CO2
InChIInChI=1S/C21H21F2N3O2/c22-13-3-6-19-16(8-13)12(10-26-19)2-1-7-25-14-9-17-15(21(24)27)4-5-18(23)20(17)28-11-14/h3-6,8,10,14,25-26H,1-2,7,9,11H2,(H2,24,27)/t14-/m1/s1
InChIKeyAWSJZZTVSOPOLT-CQSZACIVSA-N
XLogP3.07
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of (3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide (CID 11846181) is (3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for (3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for (3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide is NC(=O)c1ccc(F)c2c1C[C@@H](NCCCc1c[nH]c3ccc(F)cc13)CO2.
What is the InChIKey of (3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is AWSJZZTVSOPOLT-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c22-13-3-6-19-16(8-13)12(10-26-19)2-1-7-25-14-9-17-15(21(24)27)4-5-18(23)20(17)28-11-14/h3-6,8,10,14,25-26H,1-2,7,9,11H2,(H2,24,27)/t14-/m1/s1.
What are the key properties of (3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
(3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 385.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 11846181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).