[(1R)-1-(2-chlorophenyl)ethyl] N-[2-(4-bromophenyl)-1-benzofuran-3-yl]carbamate

C23H17BrClNO3 — CID 71266369

IUPAC[(1R)-1-(2-chlorophenyl)ethyl] N-[2-(4-bromophenyl)-1-benzofuran-3-yl]carbamate
SMILESC[C@@H](OC(=O)Nc1c(-c2ccc(Br)cc2)oc2ccccc12)c1ccccc1Cl
InChIInChI=1S/C23H17BrClNO3/c1-14(17-6-2-4-8-19(17)25)28-23(27)26-21-18-7-3-5-9-20(18)29-22(21)15-10-12-16(24)13-11-15/h2-14H,1H3,(H,26,27)/t14-/m1/s1
InChIKeyUGXOKUXICBVIPK-CQSZACIVSA-N
MW470.75 g/mol
LogP7.83
Rot. Bonds4

About [(1R)-1-(2-chlorophenyl)ethyl] N-[2-(4-bromophenyl)-1-benzofuran-3-yl]carbamate

[(1R)-1-(2-chlorophenyl)ethyl] N-[2-(4-bromophenyl)-1-benzofuran-3-yl]carbamate (PubChem CID 71266369) has the molecular formula C23H17BrClNO3 and a molecular weight of 470.75 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl] N-[2-(4-bromophenyl)-1-benzofuran-3-yl]carbamate.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)ethyl] N-[2-(4-bromophenyl)-1-benzofuran-3-yl]carbamate
PubChem CID71266369
Molecular FormulaC23H17BrClNO3
Molecular Weight470.75 g/mol
Exact Mass469.01
IUPAC Name[(1R)-1-(2-chlorophenyl)ethyl] N-[2-(4-bromophenyl)-1-benzofuran-3-yl]carbamate
SMILESC[C@@H](OC(=O)Nc1c(-c2ccc(Br)cc2)oc2ccccc12)c1ccccc1Cl
InChIInChI=1S/C23H17BrClNO3/c1-14(17-6-2-4-8-19(17)25)28-23(27)26-21-18-7-3-5-9-20(18)29-22(21)15-10-12-16(24)13-11-15/h2-14H,1H3,(H,26,27)/t14-/m1/s1
InChIKeyUGXOKUXICBVIPK-CQSZACIVSA-N
XLogP7.83
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.75
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-6-fluoro-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 71264731
1-[4-[4-[3-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-7-methyl-1-benzofuran-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;methane
CID 159705513
1-(2-chlorophenyl)ethyl N-[2-[4-[4-[1-(methoxymethyl)cyclopropyl]phenyl]phenyl]furo[2,3-c]pyridin-3-yl]carbamate
CID 123656856
4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]benzoic acid
CID 90427142
1-(2-chlorophenyl)ethyl N-[5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 22279640
1-(2-chlorophenyl)ethyl N-[5-(4-cyanophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 22279580
[(1R)-1-(2-chlorophenyl)ethyl] N-[3-(4-bromophenyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]carbamate
CID 71267041
1-[2-[2-[3-[1-(2-chlorophenyl)ethoxycarbonylamino]-1-benzofuran-2-yl]ethynyl]thieno[3,2-b]thiophen-5-yl]cyclopropane-1-carboxylic acid
CID 71265262
1-[2-[2-[3-[1-(2-chlorophenyl)ethoxycarbonylamino]-1-benzofuran-2-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid
CID 71266039
1-(2-chlorophenyl)ethyl N-[5-[4-(6-fluoro-1-methylpyridin-1-ium-3-yl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamate
CID 123391483
[(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-bromophenyl)-4-chloropyrazol-5-yl]carbamate
CID 153378753
2-[4-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methyl]phenyl]acetic acid
CID 70875811

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl] N-[2-(4-bromophenyl)-1-benzofuran-3-yl]carbamate?
The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl] N-[2-(4-bromophenyl)-1-benzofuran-3-yl]carbamate (CID 71266369) is [(1R)-1-(2-chlorophenyl)ethyl] N-[2-(4-bromophenyl)-1-benzofuran-3-yl]carbamate.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl] N-[2-(4-bromophenyl)-1-benzofuran-3-yl]carbamate?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl] N-[2-(4-bromophenyl)-1-benzofuran-3-yl]carbamate is C[C@@H](OC(=O)Nc1c(-c2ccc(Br)cc2)oc2ccccc12)c1ccccc1Cl.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl] N-[2-(4-bromophenyl)-1-benzofuran-3-yl]carbamate?
The InChIKey is UGXOKUXICBVIPK-CQSZACIVSA-N. The full InChI is InChI=1S/C23H17BrClNO3/c1-14(17-6-2-4-8-19(17)25)28-23(27)26-21-18-7-3-5-9-20(18)29-22(21)15-10-12-16(24)13-11-15/h2-14H,1H3,(H,26,27)/t14-/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl] N-[2-(4-bromophenyl)-1-benzofuran-3-yl]carbamate?
[(1R)-1-(2-chlorophenyl)ethyl] N-[2-(4-bromophenyl)-1-benzofuran-3-yl]carbamate has a molecular weight of 470.75 g/mol, XLogP of 7.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)ethyl] N-[2-(4-bromophenyl)-1-benzofuran-3-yl]carbamate is sourced from PubChem (CID 71266369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).