benzyl N-[(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-[(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-(5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl)carbamate;(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine

C78H72Cl6F6N6O6 — CID 167576574

About benzyl N-[(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-[(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-(5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl)carbamate;(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine

benzyl N-[(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-[(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-(5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl)carbamate;(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine (PubChem CID 167576574) has the molecular formula C78H72Cl6F6N6O6 and a molecular weight of 1516.18 g/mol. Its IUPAC name is benzyl N-[(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-[(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-(5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl)carbamate;(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

• Compound Name: benzyl N-[(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-[(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-(5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl)carbamate;(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine
• PubChem CID: 167576574
• Molecular Formula: C78H72Cl6F6N6O6
• Molecular Weight: 1516.18 g/mol
• Exact Mass: 1512.35
• IUPAC Name: benzyl N-[(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-[(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-(5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl)carbamate;(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine
• SMILES: NC1Cc2cc(F)c(Cl)cc2C1.N[C@@H]1Cc2cc(F)c(Cl)cc2C1.N[C@H]1Cc2cc(F)c(Cl)cc2C1.O=C(NC1Cc2cc(F)c(Cl)cc2C1)OCc1ccccc1.O=C(N[C@@H]1Cc2cc(F)c(Cl)cc2C1)OCc1ccccc1.O=C(N[C@H]1Cc2cc(F)c(Cl)cc2C1)OCc1ccccc1
• InChI: InChI=1S/3C17H15ClFNO2.3C9H9ClFN/c3*18-15-8-12-6-14(7-13(12)9-16(15)19)20-17(21)22-10-11-4-2-1-3-5-11;3*10-8-3-5-1-7(12)2-6(5)4-9(8)11/h3*1-5,8-9,14H,6-7,10H2,(H,20,21);3*3-4,7H,1-2,12H2/t2*14-;;2*7-;/m10.10./s1
• InChIKey: GPRCGGMOEKSLAB-BKCUIPGKSA-N
• XLogP: 17.33
• TPSA: 193.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1516.18
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-[(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-(5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl)carbamate;(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine?

The IUPAC name of benzyl N-[(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-[(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-(5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl)carbamate;(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine (CID 167576574) is benzyl N-[(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-[(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-(5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl)carbamate;(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine.

What is the SMILES notation for benzyl N-[(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-[(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-(5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl)carbamate;(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine?

The canonical SMILES for benzyl N-[(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-[(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-(5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl)carbamate;(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine is NC1Cc2cc(F)c(Cl)cc2C1.N[C@@H]1Cc2cc(F)c(Cl)cc2C1.N[C@H]1Cc2cc(F)c(Cl)cc2C1.O=C(NC1Cc2cc(F)c(Cl)cc2C1)OCc1ccccc1.O=C(N[C@@H]1Cc2cc(F)c(Cl)cc2C1)OCc1ccccc1.O=C(N[C@H]1Cc2cc(F)c(Cl)cc2C1)OCc1ccccc1.

What is the InChIKey of benzyl N-[(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-[(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-(5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl)carbamate;(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine?

The InChIKey is GPRCGGMOEKSLAB-BKCUIPGKSA-N. The full InChI is InChI=1S/3C17H15ClFNO2.3C9H9ClFN/c3*18-15-8-12-6-14(7-13(12)9-16(15)19)20-17(21)22-10-11-4-2-1-3-5-11;3*10-8-3-5-1-7(12)2-6(5)4-9(8)11/h3*1-5,8-9,14H,6-7,10H2,(H,20,21);3*3-4,7H,1-2,12H2/t2*14-;;2*7-;/m10.10./s1.

What are the key properties of benzyl N-[(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-[(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-(5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl)carbamate;(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine?

benzyl N-[(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-[(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-(5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl)carbamate;(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine has a molecular weight of 1516.18 g/mol, XLogP of 17.33, 9 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-[(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl]carbamate;benzyl N-(5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-yl)carbamate;(2R)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;(2S)-5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine;5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 167576574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).