2-(2,4-difluorophenyl)-N-[(1S,2S)-1-(oxan-4-ylmethylamino)-2,3-dihydro-1H-inden-2-yl]propanamide

C24H28F2N2O2 — CID 137441327

IUPAC2-(2,4-difluorophenyl)-N-[(1S,2S)-1-(oxan-4-ylmethylamino)-2,3-dihydro-1H-inden-2-yl]propanamide
SMILESCC(C(=O)N[C@H]1Cc2ccccc2[C@@H]1NCC1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C24H28F2N2O2/c1-15(19-7-6-18(25)13-21(19)26)24(29)28-22-12-17-4-2-3-5-20(17)23(22)27-14-16-8-10-30-11-9-16/h2-7,13,15-16,22-23,27H,8-12,14H2,1H3,(H,28,29)/t15?,22-,23-/m0/s1
InChIKeyBQHNCMNNHJQGAC-PBMBLCPASA-N
MW414.50 g/mol
LogP3.87
Rot. Bonds6

About 2-(2,4-difluorophenyl)-N-[(1S,2S)-1-(oxan-4-ylmethylamino)-2,3-dihydro-1H-inden-2-yl]propanamide

2-(2,4-difluorophenyl)-N-[(1S,2S)-1-(oxan-4-ylmethylamino)-2,3-dihydro-1H-inden-2-yl]propanamide (PubChem CID 137441327) has the molecular formula C24H28F2N2O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[(1S,2S)-1-(oxan-4-ylmethylamino)-2,3-dihydro-1H-inden-2-yl]propanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[(1S,2S)-1-(oxan-4-ylmethylamino)-2,3-dihydro-1H-inden-2-yl]propanamide
PubChem CID137441327
Molecular FormulaC24H28F2N2O2
Molecular Weight414.50 g/mol
Exact Mass414.21
IUPAC Name2-(2,4-difluorophenyl)-N-[(1S,2S)-1-(oxan-4-ylmethylamino)-2,3-dihydro-1H-inden-2-yl]propanamide
SMILESCC(C(=O)N[C@H]1Cc2ccccc2[C@@H]1NCC1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C24H28F2N2O2/c1-15(19-7-6-18(25)13-21(19)26)24(29)28-22-12-17-4-2-3-5-20(17)23(22)27-14-16-8-10-30-11-9-16/h2-7,13,15-16,22-23,27H,8-12,14H2,1H3,(H,28,29)/t15?,22-,23-/m0/s1
InChIKeyBQHNCMNNHJQGAC-PBMBLCPASA-N
XLogP3.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[(1S,2S)-1-(oxan-4-ylmethylamino)-2,3-dihydro-1H-inden-2-yl]propanamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[(1S,2S)-1-(oxan-4-ylmethylamino)-2,3-dihydro-1H-inden-2-yl]propanamide (CID 137441327) is 2-(2,4-difluorophenyl)-N-[(1S,2S)-1-(oxan-4-ylmethylamino)-2,3-dihydro-1H-inden-2-yl]propanamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[(1S,2S)-1-(oxan-4-ylmethylamino)-2,3-dihydro-1H-inden-2-yl]propanamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[(1S,2S)-1-(oxan-4-ylmethylamino)-2,3-dihydro-1H-inden-2-yl]propanamide is CC(C(=O)N[C@H]1Cc2ccccc2[C@@H]1NCC1CCOCC1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[(1S,2S)-1-(oxan-4-ylmethylamino)-2,3-dihydro-1H-inden-2-yl]propanamide?
The InChIKey is BQHNCMNNHJQGAC-PBMBLCPASA-N. The full InChI is InChI=1S/C24H28F2N2O2/c1-15(19-7-6-18(25)13-21(19)26)24(29)28-22-12-17-4-2-3-5-20(17)23(22)27-14-16-8-10-30-11-9-16/h2-7,13,15-16,22-23,27H,8-12,14H2,1H3,(H,28,29)/t15?,22-,23-/m0/s1.
What are the key properties of 2-(2,4-difluorophenyl)-N-[(1S,2S)-1-(oxan-4-ylmethylamino)-2,3-dihydro-1H-inden-2-yl]propanamide?
2-(2,4-difluorophenyl)-N-[(1S,2S)-1-(oxan-4-ylmethylamino)-2,3-dihydro-1H-inden-2-yl]propanamide has a molecular weight of 414.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[(1S,2S)-1-(oxan-4-ylmethylamino)-2,3-dihydro-1H-inden-2-yl]propanamide is sourced from PubChem (CID 137441327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).