[5-(4-bromophenyl)-5-(4-chlorophenyl)-2,3-dimethylpentan-2-yl] carbamate

C20H23BrClNO2 — CID 151205304

IUPAC[5-(4-bromophenyl)-5-(4-chlorophenyl)-2,3-dimethylpentan-2-yl] carbamate
SMILESCC(CC(c1ccc(Cl)cc1)c1ccc(Br)cc1)C(C)(C)OC(N)=O
InChIInChI=1S/C20H23BrClNO2/c1-13(20(2,3)25-19(23)24)12-18(14-4-8-16(21)9-5-14)15-6-10-17(22)11-7-15/h4-11,13,18H,12H2,1-3H3,(H2,23,24)
InChIKeyNJDPBNNUCAOXRX-UHFFFAOYSA-N
MW424.77 g/mol
LogP6.13
Rot. Bonds6

About [5-(4-bromophenyl)-5-(4-chlorophenyl)-2,3-dimethylpentan-2-yl] carbamate

[5-(4-bromophenyl)-5-(4-chlorophenyl)-2,3-dimethylpentan-2-yl] carbamate (PubChem CID 151205304) has the molecular formula C20H23BrClNO2 and a molecular weight of 424.77 g/mol. Its IUPAC name is [5-(4-bromophenyl)-5-(4-chlorophenyl)-2,3-dimethylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[5-(4-bromophenyl)-5-(4-chlorophenyl)-2,3-dimethylpentan-2-yl] carbamate
PubChem CID151205304
Molecular FormulaC20H23BrClNO2
Molecular Weight424.77 g/mol
Exact Mass423.06
IUPAC Name[5-(4-bromophenyl)-5-(4-chlorophenyl)-2,3-dimethylpentan-2-yl] carbamate
SMILESCC(CC(c1ccc(Cl)cc1)c1ccc(Br)cc1)C(C)(C)OC(N)=O
InChIInChI=1S/C20H23BrClNO2/c1-13(20(2,3)25-19(23)24)12-18(14-4-8-16(21)9-5-14)15-6-10-17(22)11-7-15/h4-11,13,18H,12H2,1-3H3,(H2,23,24)
InChIKeyNJDPBNNUCAOXRX-UHFFFAOYSA-N
XLogP6.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.77
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)-5-(4-chlorophenyl)-2,3-dimethylpentan-2-yl] carbamate?
The IUPAC name of [5-(4-bromophenyl)-5-(4-chlorophenyl)-2,3-dimethylpentan-2-yl] carbamate (CID 151205304) is [5-(4-bromophenyl)-5-(4-chlorophenyl)-2,3-dimethylpentan-2-yl] carbamate.
What is the SMILES notation for [5-(4-bromophenyl)-5-(4-chlorophenyl)-2,3-dimethylpentan-2-yl] carbamate?
The canonical SMILES for [5-(4-bromophenyl)-5-(4-chlorophenyl)-2,3-dimethylpentan-2-yl] carbamate is CC(CC(c1ccc(Cl)cc1)c1ccc(Br)cc1)C(C)(C)OC(N)=O.
What is the InChIKey of [5-(4-bromophenyl)-5-(4-chlorophenyl)-2,3-dimethylpentan-2-yl] carbamate?
The InChIKey is NJDPBNNUCAOXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrClNO2/c1-13(20(2,3)25-19(23)24)12-18(14-4-8-16(21)9-5-14)15-6-10-17(22)11-7-15/h4-11,13,18H,12H2,1-3H3,(H2,23,24).
What are the key properties of [5-(4-bromophenyl)-5-(4-chlorophenyl)-2,3-dimethylpentan-2-yl] carbamate?
[5-(4-bromophenyl)-5-(4-chlorophenyl)-2,3-dimethylpentan-2-yl] carbamate has a molecular weight of 424.77 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)-5-(4-chlorophenyl)-2,3-dimethylpentan-2-yl] carbamate is sourced from PubChem (CID 151205304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).