[6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate

C16H13Cl2NO2 — CID 175296823

IUPAC[6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate
SMILESNC(=O)OC1CCc2ccc(-c3cc(Cl)ccc3Cl)cc21
InChIInChI=1S/C16H13Cl2NO2/c17-11-4-5-14(18)12(8-11)10-2-1-9-3-6-15(13(9)7-10)21-16(19)20/h1-2,4-5,7-8,15H,3,6H2,(H2,19,20)
InChIKeyPWNXAXUVBWHDEV-UHFFFAOYSA-N
MW322.19 g/mol
LogP4.74
Rot. Bonds2

About [6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate

[6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate (PubChem CID 175296823) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is [6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate.

Molecular Properties

Compound Name[6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate
PubChem CID175296823
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name[6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate
SMILESNC(=O)OC1CCc2ccc(-c3cc(Cl)ccc3Cl)cc21
InChIInChI=1S/C16H13Cl2NO2/c17-11-4-5-14(18)12(8-11)10-2-1-9-3-6-15(13(9)7-10)21-16(19)20/h1-2,4-5,7-8,15H,3,6H2,(H2,19,20)
InChIKeyPWNXAXUVBWHDEV-UHFFFAOYSA-N
XLogP4.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568823
[6-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-1-yl] carbamate
CID 175296578
[(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
CID 134294881
[6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568706
[5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate
CID 175296693
(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl) carbamate
CID 175044380
7-(5-chloro-2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82541544
[6-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568957
[7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253937
2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid
CID 176516194
[7-(3-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175252999
[7-[2-chloro-5-(trifluoromethoxy)phenyl]-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175252967

Frequently Asked Questions

What is the IUPAC name of [6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate?
The IUPAC name of [6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate (CID 175296823) is [6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate.
What is the SMILES notation for [6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate?
The canonical SMILES for [6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate is NC(=O)OC1CCc2ccc(-c3cc(Cl)ccc3Cl)cc21.
What is the InChIKey of [6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate?
The InChIKey is PWNXAXUVBWHDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c17-11-4-5-14(18)12(8-11)10-2-1-9-3-6-15(13(9)7-10)21-16(19)20/h1-2,4-5,7-8,15H,3,6H2,(H2,19,20).
What are the key properties of [6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate?
[6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate has a molecular weight of 322.19 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate is sourced from PubChem (CID 175296823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).