1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea

C19H19BrN2O2 — CID 41437717

IUPAC1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea
SMILESC[C@@H](NC(=O)N[C@H](C)c1ccccc1Br)c1cc2ccccc2o1
InChIInChI=1S/C19H19BrN2O2/c1-12(15-8-4-5-9-16(15)20)21-19(23)22-13(2)18-11-14-7-3-6-10-17(14)24-18/h3-13H,1-2H3,(H2,21,22,23)/t12-,13-/m1/s1
InChIKeyZPMVSDCKNDVJDK-CHWSQXEVSA-N
MW387.28 g/mol
LogP5.32
Rot. Bonds4

About 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea

1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea (PubChem CID 41437717) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea
PubChem CID41437717
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea
SMILESC[C@@H](NC(=O)N[C@H](C)c1ccccc1Br)c1cc2ccccc2o1
InChIInChI=1S/C19H19BrN2O2/c1-12(15-8-4-5-9-16(15)20)21-19(23)22-13(2)18-11-14-7-3-6-10-17(14)24-18/h3-13H,1-2H3,(H2,21,22,23)/t12-,13-/m1/s1
InChIKeyZPMVSDCKNDVJDK-CHWSQXEVSA-N
XLogP5.32
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.28
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437716
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437708
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea
CID 41435507
2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide
CID 94056544
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide
CID 78911568
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]urea
CID 43058742
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide
CID 112811052
1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 110910012
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 8695538

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea?
The IUPAC name of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea (CID 41437717) is 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea.
What is the SMILES notation for 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea?
The canonical SMILES for 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea is C[C@@H](NC(=O)N[C@H](C)c1ccccc1Br)c1cc2ccccc2o1.
What is the InChIKey of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea?
The InChIKey is ZPMVSDCKNDVJDK-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-12(15-8-4-5-9-16(15)20)21-19(23)22-13(2)18-11-14-7-3-6-10-17(14)24-18/h3-13H,1-2H3,(H2,21,22,23)/t12-,13-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea?
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea has a molecular weight of 387.28 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea is sourced from PubChem (CID 41437717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).