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

C19H19ClFNO3 — CID 175296715

IUPAC[5-(2-chloro-4-methoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCOc1ccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)C3)c(Cl)c1
InChIInChI=1S/C19H19ClFNO3/c1-19(2)9-10-6-14(12-5-4-11(24-3)7-15(12)20)16(21)8-13(10)17(19)25-18(22)23/h4-8,17H,9H2,1-3H3,(H2,22,23)
InChIKeyAGHIOEULQBZSIK-UHFFFAOYSA-N
MW363.82 g/mol
LogP4.87
Rot. Bonds3

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

[5-(2-chloro-4-methoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296715) has the molecular formula C19H19ClFNO3 and a molecular weight of 363.82 g/mol. Its IUPAC name is [5-(2-chloro-4-methoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[5-(2-chloro-4-methoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296715
Molecular FormulaC19H19ClFNO3
Molecular Weight363.82 g/mol
Exact Mass363.10
IUPAC Name[5-(2-chloro-4-methoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCOc1ccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)C3)c(Cl)c1
InChIInChI=1S/C19H19ClFNO3/c1-19(2)9-10-6-14(12-5-4-11(24-3)7-15(12)20)16(21)8-13(10)17(19)25-18(22)23/h4-8,17H,9H2,1-3H3,(H2,22,23)
InChIKeyAGHIOEULQBZSIK-UHFFFAOYSA-N
XLogP4.87
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-fluoro-5-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296812
[(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175498021
[(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175498082
[5-(4-tert-butylphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296888
[6-fluoro-7-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253145
[6-methoxy-2,2-dimethyl-5-(3-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl] carbamate
CID 175296868
[(1R)-6-(4-ethylphenyl)-7-fluoro-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate
CID 175497959
[5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296930
[7-(2-chloro-5-methoxyphenyl)-6-methoxy-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175253115
[6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296738
[(1R)-6-fluoro-5-(3-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid
CID 174172406
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1R)-5-(2-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamate
CID 175822112

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-4-methoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [5-(2-chloro-4-methoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 175296715) is [5-(2-chloro-4-methoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [5-(2-chloro-4-methoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [5-(2-chloro-4-methoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is COc1ccc(-c2cc3c(cc2F)C(OC(N)=O)C(C)(C)C3)c(Cl)c1.
What is the InChIKey of [5-(2-chloro-4-methoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is AGHIOEULQBZSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO3/c1-19(2)9-10-6-14(12-5-4-11(24-3)7-15(12)20)16(21)8-13(10)17(19)25-18(22)23/h4-8,17H,9H2,1-3H3,(H2,22,23).
What are the key properties of [5-(2-chloro-4-methoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
[5-(2-chloro-4-methoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 363.82 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-4-methoxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).