1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea

C17H19BrN2O — CID 108868724

IUPAC1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccccc1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C17H19BrN2O/c1-13(2)20(12-14-8-4-3-5-9-14)17(21)19-16-11-7-6-10-15(16)18/h3-11,13H,12H2,1-2H3,(H,19,21)
InChIKeyDIOZGINQIMJVKV-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.89
Rot. Bonds4

About 1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea

1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea (PubChem CID 108868724) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea
PubChem CID108868724
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccccc1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C17H19BrN2O/c1-13(2)20(12-14-8-4-3-5-9-14)17(21)19-16-11-7-6-10-15(16)18/h3-11,13H,12H2,1-2H3,(H,19,21)
InChIKeyDIOZGINQIMJVKV-UHFFFAOYSA-N
XLogP4.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1-benzylpyrrol-2-yl)methyl]-3-(2-bromophenyl)-1-propan-2-ylurea
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1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
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[5-[[(2-bromophenyl)carbamoyl-propan-2-ylamino]methyl]-2-methoxyphenyl] ethanesulfonate
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1-benzyl-3-ethyl-1-propan-2-ylurea
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2-[(3-bromo-2-methylphenyl)carbamoyl-propan-2-ylamino]acetic acid
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1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea
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1-benzyl-3-(2-bromophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
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(2S)-2-[benzyl(naphthalen-1-ylcarbamoyl)amino]-N-hydroxypropanamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea?
The IUPAC name of 1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea (CID 108868724) is 1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea?
The canonical SMILES for 1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea is CC(C)N(Cc1ccccc1)C(=O)Nc1ccccc1Br.
What is the InChIKey of 1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea?
The InChIKey is DIOZGINQIMJVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-13(2)20(12-14-8-4-3-5-9-14)17(21)19-16-11-7-6-10-15(16)18/h3-11,13H,12H2,1-2H3,(H,19,21).
What are the key properties of 1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea?
1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea has a molecular weight of 347.26 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea is sourced from PubChem (CID 108868724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).