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

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

7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 151864314) has the molecular formula C28H35FN2O6 and a molecular weight of 514.59 g/mol. Its IUPAC name is 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name	7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID	151864314
Molecular Formula	C28H35FN2O6
Molecular Weight	514.59 g/mol
Exact Mass	514.25
IUPAC Name	7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide
SMILES	COCCCNC(=O)c1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c(OC)c3c2CCC3)cc1F
InChI	InChI=1S/C28H35FN2O6/c1-35-11-4-10-30-27(33)21-8-7-17(14-23(21)29)13-18-15-22(26(36-2)20-6-3-5-19(18)20)28(34)31-24-9-12-37-16-25(24)32/h7-8,14-15,24-25,32H,3-6,9-13,16H2,1-2H3,(H,30,33)(H,31,34)/t24-,25-/m0/s1
InChIKey	SLIUMTVVYNKVHH-DQEYMECFSA-N
XLogP	2.56
TPSA	106.12 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	10
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.59
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?

The IUPAC name of 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide (CID 151864314) is 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide.

What is the SMILES notation for 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?

The canonical SMILES for 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide is COCCCNC(=O)c1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c(OC)c3c2CCC3)cc1F.

What is the InChIKey of 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?

The InChIKey is SLIUMTVVYNKVHH-DQEYMECFSA-N. The full InChI is InChI=1S/C28H35FN2O6/c1-35-11-4-10-30-27(33)21-8-7-17(14-23(21)29)13-18-15-22(26(36-2)20-6-3-5-19(18)20)28(34)31-24-9-12-37-16-25(24)32/h7-8,14-15,24-25,32H,3-6,9-13,16H2,1-2H3,(H,30,33)(H,31,34)/t24-,25-/m0/s1.

What are the key properties of 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide?

7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 514.59 g/mol, XLogP of 2.56, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[3-fluoro-4-(3-methoxypropylcarbamoyl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-methoxy-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 151864314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).