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

C22H23F2N3O2 — CID 11845643

IUPAC(3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-methylamino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1
InChIInChI=1S/C22H23F2N3O2/c1-27(8-2-3-13-11-26-20-7-4-14(23)9-17(13)20)15-10-18-16(22(25)28)5-6-19(24)21(18)29-12-15/h4-7,9,11,15,26H,2-3,8,10,12H2,1H3,(H2,25,28)/t15-/m1/s1
InChIKeyYSOCJLRWGGPWKP-OAHLLOKOSA-N
MW399.44 g/mol
LogP3.41
Rot. Bonds6

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

(3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-methylamino]-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 11845643) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is (3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-methylamino]-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name(3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-methylamino]-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID11845643
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC Name(3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-methylamino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1
InChIInChI=1S/C22H23F2N3O2/c1-27(8-2-3-13-11-26-20-7-4-14(23)9-17(13)20)15-10-18-16(22(25)28)5-6-19(24)21(18)29-12-15/h4-7,9,11,15,26H,2-3,8,10,12H2,1H3,(H2,25,28)/t15-/m1/s1
InChIKeyYSOCJLRWGGPWKP-OAHLLOKOSA-N
XLogP3.41
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-methylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of (3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-methylamino]-3,4-dihydro-2H-chromene-5-carboxamide (CID 11845643) is (3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-methylamino]-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for (3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-methylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for (3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-methylamino]-3,4-dihydro-2H-chromene-5-carboxamide is CN(CCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(F)ccc(C(N)=O)c2C1.
What is the InChIKey of (3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-methylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is YSOCJLRWGGPWKP-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c1-27(8-2-3-13-11-26-20-7-4-14(23)9-17(13)20)15-10-18-16(22(25)28)5-6-19(24)21(18)29-12-15/h4-7,9,11,15,26H,2-3,8,10,12H2,1H3,(H2,25,28)/t15-/m1/s1.
What are the key properties of (3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-methylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
(3R)-8-fluoro-3-[3-(5-fluoro-1H-indol-3-yl)propyl-methylamino]-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 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)propyl-methylamino]-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 11845643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).