[5-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

C19H20FNO2 — CID 175296596

IUPAC[5-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCc1cc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)ccc1F
InChIInChI=1S/C19H20FNO2/c1-11-8-12(5-7-16(11)20)13-4-6-15-14(9-13)10-19(2,3)17(15)23-18(21)22/h4-9,17H,10H2,1-3H3,(H2,21,22)
InChIKeyKVMJGIZVTAWCMX-UHFFFAOYSA-N
MW313.37 g/mol
LogP4.52
Rot. Bonds2

About [5-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

[5-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296596) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is [5-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[5-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296596
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name[5-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCc1cc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)ccc1F
InChIInChI=1S/C19H20FNO2/c1-11-8-12(5-7-16(11)20)13-4-6-15-14(9-13)10-19(2,3)17(15)23-18(21)22/h4-9,17H,10H2,1-3H3,(H2,21,22)
InChIKeyKVMJGIZVTAWCMX-UHFFFAOYSA-N
XLogP4.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [5-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 175296596) is [5-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [5-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [5-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is Cc1cc(-c2ccc3c(c2)CC(C)(C)C3OC(N)=O)ccc1F.
What is the InChIKey of [5-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is KVMJGIZVTAWCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-11-8-12(5-7-16(11)20)13-4-6-15-14(9-13)10-19(2,3)17(15)23-18(21)22/h4-9,17H,10H2,1-3H3,(H2,21,22).
What are the key properties of [5-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
[5-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 313.37 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluoro-3-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).