7-(2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4H-[1,3]benzodioxolo[7,6-c]chromene-8-carboxamide

C32H25FN2O5 — CID 71537522

IUPAC7-(2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4H-[1,3]benzodioxolo[7,6-c]chromene-8-carboxamide
SMILESO=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cc2c(cc1-c1ccccc1F)OCc1c-2ccc2c1OCO2
InChIInChI=1S/C32H25FN2O5/c33-27-7-3-1-6-22(27)23-13-30-24(21-9-10-29-31(40-17-39-29)26(21)16-38-30)12-25(23)32(37)35-19(15-36)11-18-14-34-28-8-4-2-5-20(18)28/h1-10,12-14,19,34,36H,11,15-17H2,(H,35,37)/t19-/m1/s1
InChIKeyCQQUHCOEPWTPRV-LJQANCHMSA-N
MW536.56 g/mol
LogP5.60
Rot. Bonds6

About 7-(2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4H-[1,3]benzodioxolo[7,6-c]chromene-8-carboxamide

7-(2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4H-[1,3]benzodioxolo[7,6-c]chromene-8-carboxamide (PubChem CID 71537522) has the molecular formula C32H25FN2O5 and a molecular weight of 536.56 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4H-[1,3]benzodioxolo[7,6-c]chromene-8-carboxamide.

Molecular Properties

Compound Name7-(2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4H-[1,3]benzodioxolo[7,6-c]chromene-8-carboxamide
PubChem CID71537522
Molecular FormulaC32H25FN2O5
Molecular Weight536.56 g/mol
Exact Mass536.17
IUPAC Name7-(2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4H-[1,3]benzodioxolo[7,6-c]chromene-8-carboxamide
SMILESO=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cc2c(cc1-c1ccccc1F)OCc1c-2ccc2c1OCO2
InChIInChI=1S/C32H25FN2O5/c33-27-7-3-1-6-22(27)23-13-30-24(21-9-10-29-31(40-17-39-29)26(21)16-38-30)12-25(23)32(37)35-19(15-36)11-18-14-34-28-8-4-2-5-20(18)28/h1-10,12-14,19,34,36H,11,15-17H2,(H,35,37)/t19-/m1/s1
InChIKeyCQQUHCOEPWTPRV-LJQANCHMSA-N
XLogP5.60
TPSA92.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.56
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-(2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4H-[1,3]benzodioxolo[7,6-c]chromene-8-carboxamide with MolForge

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Related Compounds

(2S)-3-(1H-indol-3-yl)-2-[[2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]propanoic acid
CID 1768585
N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)benzamide
CID 46225263
(2R)-2-[[(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-yl]prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 130324440
Smtp-6
CID 10698326
[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)indol-1-yl]-[4-[(2-hydroxyethylamino)methyl]phenyl]methanone
CID 164622537
2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylbenzamide
CID 11577173
N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
CID 11583921
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylbenzamide
CID 11656022
N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 11698970
N-[1-(6-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 16038419
6-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 16038423
N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-6-methoxy-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 16038486

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4H-[1,3]benzodioxolo[7,6-c]chromene-8-carboxamide?
The IUPAC name of 7-(2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4H-[1,3]benzodioxolo[7,6-c]chromene-8-carboxamide (CID 71537522) is 7-(2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4H-[1,3]benzodioxolo[7,6-c]chromene-8-carboxamide.
What is the SMILES notation for 7-(2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4H-[1,3]benzodioxolo[7,6-c]chromene-8-carboxamide?
The canonical SMILES for 7-(2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4H-[1,3]benzodioxolo[7,6-c]chromene-8-carboxamide is O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cc2c(cc1-c1ccccc1F)OCc1c-2ccc2c1OCO2.
What is the InChIKey of 7-(2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4H-[1,3]benzodioxolo[7,6-c]chromene-8-carboxamide?
The InChIKey is CQQUHCOEPWTPRV-LJQANCHMSA-N. The full InChI is InChI=1S/C32H25FN2O5/c33-27-7-3-1-6-22(27)23-13-30-24(21-9-10-29-31(40-17-39-29)26(21)16-38-30)12-25(23)32(37)35-19(15-36)11-18-14-34-28-8-4-2-5-20(18)28/h1-10,12-14,19,34,36H,11,15-17H2,(H,35,37)/t19-/m1/s1.
What are the key properties of 7-(2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4H-[1,3]benzodioxolo[7,6-c]chromene-8-carboxamide?
7-(2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4H-[1,3]benzodioxolo[7,6-c]chromene-8-carboxamide has a molecular weight of 536.56 g/mol, XLogP of 5.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4H-[1,3]benzodioxolo[7,6-c]chromene-8-carboxamide is sourced from PubChem (CID 71537522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).