[2-(4-bromophenyl)cyclopropyl]-tert-butylcarbamic acid

C14H18BrNO2 — CID 67320053

IUPAC[2-(4-bromophenyl)cyclopropyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CC1c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO2/c1-14(2,3)16(13(17)18)12-8-11(12)9-4-6-10(15)7-5-9/h4-7,11-12H,8H2,1-3H3,(H,17,18)
InChIKeyUSZFOFWXZVGPLT-UHFFFAOYSA-N
MW312.21 g/mol
LogP4.08
Rot. Bonds2

About [2-(4-bromophenyl)cyclopropyl]-tert-butylcarbamic acid

[2-(4-bromophenyl)cyclopropyl]-tert-butylcarbamic acid (PubChem CID 67320053) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is [2-(4-bromophenyl)cyclopropyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[2-(4-bromophenyl)cyclopropyl]-tert-butylcarbamic acid
PubChem CID67320053
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name[2-(4-bromophenyl)cyclopropyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CC1c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO2/c1-14(2,3)16(13(17)18)12-8-11(12)9-4-6-10(15)7-5-9/h4-7,11-12H,8H2,1-3H3,(H,17,18)
InChIKeyUSZFOFWXZVGPLT-UHFFFAOYSA-N
XLogP4.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)cyclopropyl]-tert-butylcarbamic acid?
The IUPAC name of [2-(4-bromophenyl)cyclopropyl]-tert-butylcarbamic acid (CID 67320053) is [2-(4-bromophenyl)cyclopropyl]-tert-butylcarbamic acid.
What is the SMILES notation for [2-(4-bromophenyl)cyclopropyl]-tert-butylcarbamic acid?
The canonical SMILES for [2-(4-bromophenyl)cyclopropyl]-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)C1CC1c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)cyclopropyl]-tert-butylcarbamic acid?
The InChIKey is USZFOFWXZVGPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-14(2,3)16(13(17)18)12-8-11(12)9-4-6-10(15)7-5-9/h4-7,11-12H,8H2,1-3H3,(H,17,18).
What are the key properties of [2-(4-bromophenyl)cyclopropyl]-tert-butylcarbamic acid?
[2-(4-bromophenyl)cyclopropyl]-tert-butylcarbamic acid has a molecular weight of 312.21 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)cyclopropyl]-tert-butylcarbamic acid is sourced from PubChem (CID 67320053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).