7-[(2-fluorophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide

C27H21FN2O4 — CID 134152051

IUPAC7-[(2-fluorophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc2ccc(OCc3ccccc3F)cc2oc1=O
InChIInChI=1S/C27H21FN2O4/c28-23-7-3-1-5-19(23)16-33-20-10-9-17-13-22(27(32)34-25(17)14-20)26(31)29-12-11-18-15-30-24-8-4-2-6-21(18)24/h1-10,13-15,30H,11-12,16H2,(H,29,31)
InChIKeyYIGYSVTZTGHTLM-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.96
Rot. Bonds7

About 7-[(2-fluorophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide

7-[(2-fluorophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 134152051) has the molecular formula C27H21FN2O4 and a molecular weight of 456.47 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name7-[(2-fluorophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide
PubChem CID134152051
Molecular FormulaC27H21FN2O4
Molecular Weight456.47 g/mol
Exact Mass456.15
IUPAC Name7-[(2-fluorophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc2ccc(OCc3ccccc3F)cc2oc1=O
InChIInChI=1S/C27H21FN2O4/c28-23-7-3-1-5-19(23)16-33-20-10-9-17-13-22(27(32)34-25(17)14-20)26(31)29-12-11-18-15-30-24-8-4-2-6-21(18)24/h1-10,13-15,30H,11-12,16H2,(H,29,31)
InChIKeyYIGYSVTZTGHTLM-UHFFFAOYSA-N
XLogP4.96
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-oxo-7-propoxychromene-3-carboxamide
CID 134138941
(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7094958
(2R)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7094961
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 162373909
N'-[(2-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108531516
5-fluoro-2-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 175363337
2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245347
N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 118711596
N-[2-(2-fluorophenyl)ethyl]-2-[[(2-oxochromene-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 90866689
N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[6-[(7-methoxy-2-oxochromene-3-carbonyl)amino]hexanoylamino]pentanediamide
CID 23592974
N-[2-(2-fluorophenyl)ethyl]-2-(phenoxymethyl)benzamide
CID 24512894
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 7-[(2-fluorophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide (CID 134152051) is 7-[(2-fluorophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 7-[(2-fluorophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 7-[(2-fluorophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cc2ccc(OCc3ccccc3F)cc2oc1=O.
What is the InChIKey of 7-[(2-fluorophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is YIGYSVTZTGHTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN2O4/c28-23-7-3-1-5-19(23)16-33-20-10-9-17-13-22(27(32)34-25(17)14-20)26(31)29-12-11-18-15-30-24-8-4-2-6-21(18)24/h1-10,13-15,30H,11-12,16H2,(H,29,31).
What are the key properties of 7-[(2-fluorophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide?
7-[(2-fluorophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluorophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 134152051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).