7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide

C23H27FN2O4 — CID 166685838

IUPAC7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide
SMILESCOCCCNC(=O)c1ccc(Cc2cc(C(N)=O)c(OC)c3c2CCC3)cc1F
InChIInChI=1S/C23H27FN2O4/c1-29-10-4-9-26-23(28)18-8-7-14(12-20(18)24)11-15-13-19(22(25)27)21(30-2)17-6-3-5-16(15)17/h7-8,12-13H,3-6,9-11H2,1-2H3,(H2,25,27)(H,26,28)
InChIKeyGOMMQUSKNYKBDK-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.78
Rot. Bonds9

About 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide

7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 166685838) has the molecular formula C23H27FN2O4 and a molecular weight of 414.48 g/mol. Its IUPAC name is 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID166685838
Molecular FormulaC23H27FN2O4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC Name7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide
SMILESCOCCCNC(=O)c1ccc(Cc2cc(C(N)=O)c(OC)c3c2CCC3)cc1F
InChIInChI=1S/C23H27FN2O4/c1-29-10-4-9-26-23(28)18-8-7-14(12-20(18)24)11-15-13-19(22(25)27)21(30-2)17-6-3-5-16(15)17/h7-8,12-13H,3-6,9-11H2,1-2H3,(H2,25,27)(H,26,28)
InChIKeyGOMMQUSKNYKBDK-UHFFFAOYSA-N
XLogP2.78
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide (CID 166685838) is 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide is COCCCNC(=O)c1ccc(Cc2cc(C(N)=O)c(OC)c3c2CCC3)cc1F.
What is the InChIKey of 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is GOMMQUSKNYKBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4/c1-29-10-4-9-26-23(28)18-8-7-14(12-20(18)24)11-15-13-19(22(25)27)21(30-2)17-6-3-5-16(15)17/h7-8,12-13H,3-6,9-11H2,1-2H3,(H2,25,27)(H,26,28).
What are the key properties of 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?
7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 166685838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).