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

C18H19FN2O3 — CID 175296748

IUPAC[6-fluoro-5-(2-methoxy-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCOc1cc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)C3)ccn1
InChIInChI=1S/C18H19FN2O3/c1-18(2)9-11-6-12(10-4-5-21-15(7-10)23-3)14(19)8-13(11)16(18)24-17(20)22/h4-8,16H,9H2,1-3H3,(H2,20,22)
InChIKeyRGPWGOYKYCEYED-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.62
Rot. Bonds3

About [6-fluoro-5-(2-methoxy-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

[6-fluoro-5-(2-methoxy-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296748) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is [6-fluoro-5-(2-methoxy-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[6-fluoro-5-(2-methoxy-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296748
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name[6-fluoro-5-(2-methoxy-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCOc1cc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)C3)ccn1
InChIInChI=1S/C18H19FN2O3/c1-18(2)9-11-6-12(10-4-5-21-15(7-10)23-3)14(19)8-13(11)16(18)24-17(20)22/h4-8,16H,9H2,1-3H3,(H2,20,22)
InChIKeyRGPWGOYKYCEYED-UHFFFAOYSA-N
XLogP3.62
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-fluoro-5-(2-methoxy-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [6-fluoro-5-(2-methoxy-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 175296748) is [6-fluoro-5-(2-methoxy-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [6-fluoro-5-(2-methoxy-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [6-fluoro-5-(2-methoxy-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is COc1cc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)C3)ccn1.
What is the InChIKey of [6-fluoro-5-(2-methoxy-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is RGPWGOYKYCEYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-18(2)9-11-6-12(10-4-5-21-15(7-10)23-3)14(19)8-13(11)16(18)24-17(20)22/h4-8,16H,9H2,1-3H3,(H2,20,22).
What are the key properties of [6-fluoro-5-(2-methoxy-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
[6-fluoro-5-(2-methoxy-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 330.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-5-(2-methoxy-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).