[2-[4-[(3-bromophenyl)methoxy]phenyl]-1-tert-butylcyclopropyl] carbamate

C21H24BrNO3 — CID 90302009

IUPAC[2-[4-[(3-bromophenyl)methoxy]phenyl]-1-tert-butylcyclopropyl] carbamate
SMILESCC(C)(C)C1(OC(N)=O)CC1c1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C21H24BrNO3/c1-20(2,3)21(26-19(23)24)12-18(21)15-7-9-17(10-8-15)25-13-14-5-4-6-16(22)11-14/h4-11,18H,12-13H2,1-3H3,(H2,23,24)
InChIKeyVEYWZQALULWNKO-UHFFFAOYSA-N
MW418.33 g/mol
LogP5.40
Rot. Bonds5

About [2-[4-[(3-bromophenyl)methoxy]phenyl]-1-tert-butylcyclopropyl] carbamate

[2-[4-[(3-bromophenyl)methoxy]phenyl]-1-tert-butylcyclopropyl] carbamate (PubChem CID 90302009) has the molecular formula C21H24BrNO3 and a molecular weight of 418.33 g/mol. Its IUPAC name is [2-[4-[(3-bromophenyl)methoxy]phenyl]-1-tert-butylcyclopropyl] carbamate.

Molecular Properties

Compound Name[2-[4-[(3-bromophenyl)methoxy]phenyl]-1-tert-butylcyclopropyl] carbamate
PubChem CID90302009
Molecular FormulaC21H24BrNO3
Molecular Weight418.33 g/mol
Exact Mass417.09
IUPAC Name[2-[4-[(3-bromophenyl)methoxy]phenyl]-1-tert-butylcyclopropyl] carbamate
SMILESCC(C)(C)C1(OC(N)=O)CC1c1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C21H24BrNO3/c1-20(2,3)21(26-19(23)24)12-18(21)15-7-9-17(10-8-15)25-13-14-5-4-6-16(22)11-14/h4-11,18H,12-13H2,1-3H3,(H2,23,24)
InChIKeyVEYWZQALULWNKO-UHFFFAOYSA-N
XLogP5.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.33
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[4-[(3-bromophenyl)methoxy]phenyl]-1-tert-butylcyclopropyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-bromophenyl)methoxy]benzamide
CID 26051380
3-[[(1R,2S)-2-[4-[(3-bromophenyl)methoxy]phenyl]cyclopropyl]amino]propanamide
CID 52918686
prop-2-ynyl 4-[(3-bromophenyl)methoxy]benzoate
CID 91683305
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082
1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272
(E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 91684573
methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate
CID 23136270
(1S)-1-[4-[(3-bromophenyl)methoxy]phenyl]ethanamine
CID 55190790
(3-bromophenyl)methyl (2R)-2-amino-3,3-dimethylbutanoate
CID 113353141
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
1-bromo-3-[(4-iodophenoxy)methyl]benzene
CID 60645515
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(3-bromophenyl)methoxy]phenyl]-1-tert-butylcyclopropyl] carbamate?
The IUPAC name of [2-[4-[(3-bromophenyl)methoxy]phenyl]-1-tert-butylcyclopropyl] carbamate (CID 90302009) is [2-[4-[(3-bromophenyl)methoxy]phenyl]-1-tert-butylcyclopropyl] carbamate.
What is the SMILES notation for [2-[4-[(3-bromophenyl)methoxy]phenyl]-1-tert-butylcyclopropyl] carbamate?
The canonical SMILES for [2-[4-[(3-bromophenyl)methoxy]phenyl]-1-tert-butylcyclopropyl] carbamate is CC(C)(C)C1(OC(N)=O)CC1c1ccc(OCc2cccc(Br)c2)cc1.
What is the InChIKey of [2-[4-[(3-bromophenyl)methoxy]phenyl]-1-tert-butylcyclopropyl] carbamate?
The InChIKey is VEYWZQALULWNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrNO3/c1-20(2,3)21(26-19(23)24)12-18(21)15-7-9-17(10-8-15)25-13-14-5-4-6-16(22)11-14/h4-11,18H,12-13H2,1-3H3,(H2,23,24).
What are the key properties of [2-[4-[(3-bromophenyl)methoxy]phenyl]-1-tert-butylcyclopropyl] carbamate?
[2-[4-[(3-bromophenyl)methoxy]phenyl]-1-tert-butylcyclopropyl] carbamate has a molecular weight of 418.33 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(3-bromophenyl)methoxy]phenyl]-1-tert-butylcyclopropyl] carbamate is sourced from PubChem (CID 90302009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).