(5-bromo-6-chloro-2-methyl-1,3-dihydroinden-2-yl) carbamate

C11H11BrClNO2 — CID 175149335

IUPAC(5-bromo-6-chloro-2-methyl-1,3-dihydroinden-2-yl) carbamate
SMILESCC1(OC(N)=O)Cc2cc(Cl)c(Br)cc2C1
InChIInChI=1S/C11H11BrClNO2/c1-11(16-10(14)15)4-6-2-8(12)9(13)3-7(6)5-11/h2-3H,4-5H2,1H3,(H2,14,15)
InChIKeyZXPKNCZTIYPKNM-UHFFFAOYSA-N
MW304.57 g/mol
LogP3.06
Rot. Bonds1

About (5-bromo-6-chloro-2-methyl-1,3-dihydroinden-2-yl) carbamate

(5-bromo-6-chloro-2-methyl-1,3-dihydroinden-2-yl) carbamate (PubChem CID 175149335) has the molecular formula C11H11BrClNO2 and a molecular weight of 304.57 g/mol. Its IUPAC name is (5-bromo-6-chloro-2-methyl-1,3-dihydroinden-2-yl) carbamate.

Molecular Properties

Compound Name(5-bromo-6-chloro-2-methyl-1,3-dihydroinden-2-yl) carbamate
PubChem CID175149335
Molecular FormulaC11H11BrClNO2
Molecular Weight304.57 g/mol
Exact Mass302.97
IUPAC Name(5-bromo-6-chloro-2-methyl-1,3-dihydroinden-2-yl) carbamate
SMILESCC1(OC(N)=O)Cc2cc(Cl)c(Br)cc2C1
InChIInChI=1S/C11H11BrClNO2/c1-11(16-10(14)15)4-6-2-8(12)9(13)3-7(6)5-11/h2-3H,4-5H2,1H3,(H2,14,15)
InChIKeyZXPKNCZTIYPKNM-UHFFFAOYSA-N
XLogP3.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.57
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5,6-dichloro-2-ethoxycarbonyl-1,3-dihydroinden-2-yl)-methylidyneazanium
CID 59314404
CID 163274301
CID 163274301
5-bromo-6-chloro-2-methyl-1,3-dihydroisoindole
CID 168923965
(2,5-dimethyl-1,3-dihydroinden-2-yl) acetate
CID 157223751
(5-bromo-2,4-dichlorophenyl) acetate
CID 70269521
methyl 5-bromo-2,4-dichlorobenzoate
CID 75360955
(4-methyloxan-4-yl) carbamate
CID 141404618
tert-butyl 4-(4-bromo-5-chloro-2-fluorobenzoyl)piperazine-1-carboxylate
CID 167101735
ethyl 2-acetamido-5,6-dibromo-1,3-dihydroindene-2-carboxylate
CID 12986070
(4-bromo-5-chloro-2-fluorophenyl)-(1-methylcyclopentyl)methanone
CID 105398359
(4-amino-1-methylcyclohexyl) carbamate
CID 70612283
ethyl 5-bromo-4-chloro-2-hydroxybenzoate
CID 19701624

Frequently Asked Questions

What is the IUPAC name of (5-bromo-6-chloro-2-methyl-1,3-dihydroinden-2-yl) carbamate?
The IUPAC name of (5-bromo-6-chloro-2-methyl-1,3-dihydroinden-2-yl) carbamate (CID 175149335) is (5-bromo-6-chloro-2-methyl-1,3-dihydroinden-2-yl) carbamate.
What is the SMILES notation for (5-bromo-6-chloro-2-methyl-1,3-dihydroinden-2-yl) carbamate?
The canonical SMILES for (5-bromo-6-chloro-2-methyl-1,3-dihydroinden-2-yl) carbamate is CC1(OC(N)=O)Cc2cc(Cl)c(Br)cc2C1.
What is the InChIKey of (5-bromo-6-chloro-2-methyl-1,3-dihydroinden-2-yl) carbamate?
The InChIKey is ZXPKNCZTIYPKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO2/c1-11(16-10(14)15)4-6-2-8(12)9(13)3-7(6)5-11/h2-3H,4-5H2,1H3,(H2,14,15).
What are the key properties of (5-bromo-6-chloro-2-methyl-1,3-dihydroinden-2-yl) carbamate?
(5-bromo-6-chloro-2-methyl-1,3-dihydroinden-2-yl) carbamate has a molecular weight of 304.57 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-6-chloro-2-methyl-1,3-dihydroinden-2-yl) carbamate is sourced from PubChem (CID 175149335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).