2-[[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]methyl]-5-(3-fluorophenyl)benzamide

C23H20F2N2O — CID 68603565

IUPAC2-[[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]methyl]-5-(3-fluorophenyl)benzamide
SMILESNC(=O)c1cc(-c2cccc(F)c2)ccc1CN[C@@H]1Cc2ccc(F)cc2C1
InChIInChI=1S/C23H20F2N2O/c24-19-3-1-2-14(8-19)16-4-5-17(22(12-16)23(26)28)13-27-21-10-15-6-7-20(25)9-18(15)11-21/h1-9,12,21,27H,10-11,13H2,(H2,26,28)/t21-/m1/s1
InChIKeyMRKCDZNGNXVBBK-OAQYLSRUSA-N
MW378.42 g/mol
LogP3.99
Rot. Bonds5

About 2-[[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]methyl]-5-(3-fluorophenyl)benzamide

2-[[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]methyl]-5-(3-fluorophenyl)benzamide (PubChem CID 68603565) has the molecular formula C23H20F2N2O and a molecular weight of 378.42 g/mol. Its IUPAC name is 2-[[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]methyl]-5-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-[[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]methyl]-5-(3-fluorophenyl)benzamide
PubChem CID68603565
Molecular FormulaC23H20F2N2O
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Name2-[[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]methyl]-5-(3-fluorophenyl)benzamide
SMILESNC(=O)c1cc(-c2cccc(F)c2)ccc1CN[C@@H]1Cc2ccc(F)cc2C1
InChIInChI=1S/C23H20F2N2O/c24-19-3-1-2-14(8-19)16-4-5-17(22(12-16)23(26)28)13-27-21-10-15-6-7-20(25)9-18(15)11-21/h1-9,12,21,27H,10-11,13H2,(H2,26,28)/t21-/m1/s1
InChIKeyMRKCDZNGNXVBBK-OAQYLSRUSA-N
XLogP3.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]methyl]-5-(3-fluorophenyl)benzamide?
The IUPAC name of 2-[[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]methyl]-5-(3-fluorophenyl)benzamide (CID 68603565) is 2-[[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]methyl]-5-(3-fluorophenyl)benzamide.
What is the SMILES notation for 2-[[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]methyl]-5-(3-fluorophenyl)benzamide?
The canonical SMILES for 2-[[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]methyl]-5-(3-fluorophenyl)benzamide is NC(=O)c1cc(-c2cccc(F)c2)ccc1CN[C@@H]1Cc2ccc(F)cc2C1.
What is the InChIKey of 2-[[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]methyl]-5-(3-fluorophenyl)benzamide?
The InChIKey is MRKCDZNGNXVBBK-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H20F2N2O/c24-19-3-1-2-14(8-19)16-4-5-17(22(12-16)23(26)28)13-27-21-10-15-6-7-20(25)9-18(15)11-21/h1-9,12,21,27H,10-11,13H2,(H2,26,28)/t21-/m1/s1.
What are the key properties of 2-[[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]methyl]-5-(3-fluorophenyl)benzamide?
2-[[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]methyl]-5-(3-fluorophenyl)benzamide has a molecular weight of 378.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2R)-5-fluoro-2,3-dihydro-1H-inden-2-yl]amino]methyl]-5-(3-fluorophenyl)benzamide is sourced from PubChem (CID 68603565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).