1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea

C19H23BrN2O — CID 108902247

IUPAC1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccccc1)C(=O)NCCc1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O/c1-15(2)22(14-17-6-4-3-5-7-17)19(23)21-13-12-16-8-10-18(20)11-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,23)
InChIKeyBIJAUAZCXLGSCM-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.61
Rot. Bonds6

About 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea

1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea (PubChem CID 108902247) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea
PubChem CID108902247
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea
SMILESCC(C)N(Cc1ccccc1)C(=O)NCCc1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O/c1-15(2)22(14-17-6-4-3-5-7-17)19(23)21-13-12-16-8-10-18(20)11-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,23)
InChIKeyBIJAUAZCXLGSCM-UHFFFAOYSA-N
XLogP4.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-[2-(4-bromophenoxy)ethyl]-1-propan-2-ylurea
CID 112971306
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea
CID 108902393
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
4-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 80537936
1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108977111
3-[2-(4-bromophenyl)ethyl]-1-phenyl-1-sulfanylurea
CID 173263614
tert-butyl N-[2-[[benzyl(propan-2-yl)carbamoyl]amino]ethyl]carbamate
CID 108864351
1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea
CID 108868724
(2S)-2-[(4-bromophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 100646101
2-[(4-bromophenyl)methyl-(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 133152094
1,1-dibenzyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891110
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea?
The IUPAC name of 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea (CID 108902247) is 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea?
The canonical SMILES for 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea is CC(C)N(Cc1ccccc1)C(=O)NCCc1ccc(Br)cc1.
What is the InChIKey of 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea?
The InChIKey is BIJAUAZCXLGSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-15(2)22(14-17-6-4-3-5-7-17)19(23)21-13-12-16-8-10-18(20)11-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,23).
What are the key properties of 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea?
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea has a molecular weight of 375.31 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-propan-2-ylurea is sourced from PubChem (CID 108902247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).