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

C21H23ClFNO3 — CID 175498021

IUPAC[(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCC(C)Oc1ccc(-c2cc3c(cc2F)[C@H](OC(N)=O)C(C)(C)C3)cc1Cl
InChIInChI=1S/C21H23ClFNO3/c1-11(2)26-18-6-5-12(8-16(18)22)14-7-13-10-21(3,4)19(27-20(24)25)15(13)9-17(14)23/h5-9,11,19H,10H2,1-4H3,(H2,24,25)/t19-/m0/s1
InChIKeyLSFCCYVKIWALFH-IBGZPJMESA-N
MW391.87 g/mol
LogP5.65
Rot. Bonds4

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

[(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175498021) has the molecular formula C21H23ClFNO3 and a molecular weight of 391.87 g/mol. Its IUPAC name is [(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID175498021
Molecular FormulaC21H23ClFNO3
Molecular Weight391.87 g/mol
Exact Mass391.14
IUPAC Name[(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCC(C)Oc1ccc(-c2cc3c(cc2F)[C@H](OC(N)=O)C(C)(C)C3)cc1Cl
InChIInChI=1S/C21H23ClFNO3/c1-11(2)26-18-6-5-12(8-16(18)22)14-7-13-10-21(3,4)19(27-20(24)25)15(13)9-17(14)23/h5-9,11,19H,10H2,1-4H3,(H2,24,25)/t19-/m0/s1
InChIKeyLSFCCYVKIWALFH-IBGZPJMESA-N
XLogP5.65
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.87
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate with MolForge

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Related Compounds

[(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175498082
[6-methoxy-2,2-dimethyl-5-(3-propan-2-yloxyphenyl)-1,3-dihydroinden-1-yl] carbamate
CID 175296868
[(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid
CID 174172324
[6-fluoro-5-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296812
[(1R)-5-(3-chloro-5-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175497935
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[(1R)-6-(3-chloro-4-propan-2-yloxyphenyl)-7-fluoro-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamate
CID 175822226
[(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
[(1R)-6-ethoxy-5-(4-ethoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175498027
[5-(4-tert-butylphenyl)-6-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296888
[2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate
CID 175296610
[5-(2-butoxy-5-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296936

Frequently Asked Questions

What is the IUPAC name of [(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 175498021) is [(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is CC(C)Oc1ccc(-c2cc3c(cc2F)[C@H](OC(N)=O)C(C)(C)C3)cc1Cl.
What is the InChIKey of [(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is LSFCCYVKIWALFH-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23ClFNO3/c1-11(2)26-18-6-5-12(8-16(18)22)14-7-13-10-21(3,4)19(27-20(24)25)15(13)9-17(14)23/h5-9,11,19H,10H2,1-4H3,(H2,24,25)/t19-/m0/s1.
What are the key properties of [(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
[(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 391.87 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175498021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).