7-[[4-(ethylcarbamoyl)-3-fluorophenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide

C21H23FN2O3 — CID 166685876

IUPAC7-[[4-(ethylcarbamoyl)-3-fluorophenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCNC(=O)c1ccc(Cc2cc(C(N)=O)c(OC)c3c2CCC3)cc1F
InChIInChI=1S/C21H23FN2O3/c1-3-24-21(26)16-8-7-12(10-18(16)22)9-13-11-17(20(23)25)19(27-2)15-6-4-5-14(13)15/h7-8,10-11H,3-6,9H2,1-2H3,(H2,23,25)(H,24,26)
InChIKeyHWCGTCULWZMZAZ-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.76
Rot. Bonds6

About 7-[[4-(ethylcarbamoyl)-3-fluorophenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide

7-[[4-(ethylcarbamoyl)-3-fluorophenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 166685876) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 7-[[4-(ethylcarbamoyl)-3-fluorophenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name7-[[4-(ethylcarbamoyl)-3-fluorophenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID166685876
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name7-[[4-(ethylcarbamoyl)-3-fluorophenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCNC(=O)c1ccc(Cc2cc(C(N)=O)c(OC)c3c2CCC3)cc1F
InChIInChI=1S/C21H23FN2O3/c1-3-24-21(26)16-8-7-12(10-18(16)22)9-13-11-17(20(23)25)19(27-2)15-6-4-5-14(13)15/h7-8,10-11H,3-6,9H2,1-2H3,(H2,23,25)(H,24,26)
InChIKeyHWCGTCULWZMZAZ-UHFFFAOYSA-N
XLogP2.76
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(ethylcarbamoyl)-3-fluorophenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of 7-[[4-(ethylcarbamoyl)-3-fluorophenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide (CID 166685876) is 7-[[4-(ethylcarbamoyl)-3-fluorophenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for 7-[[4-(ethylcarbamoyl)-3-fluorophenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for 7-[[4-(ethylcarbamoyl)-3-fluorophenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide is CCNC(=O)c1ccc(Cc2cc(C(N)=O)c(OC)c3c2CCC3)cc1F.
What is the InChIKey of 7-[[4-(ethylcarbamoyl)-3-fluorophenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is HWCGTCULWZMZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-3-24-21(26)16-8-7-12(10-18(16)22)9-13-11-17(20(23)25)19(27-2)15-6-4-5-14(13)15/h7-8,10-11H,3-6,9H2,1-2H3,(H2,23,25)(H,24,26).
What are the key properties of 7-[[4-(ethylcarbamoyl)-3-fluorophenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?
7-[[4-(ethylcarbamoyl)-3-fluorophenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(ethylcarbamoyl)-3-fluorophenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 166685876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).