1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea

C15H14BrClN2O — CID 60736658

IUPAC1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea
SMILESCC(NC(=O)Nc1cccc(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C15H14BrClN2O/c1-10(11-4-2-5-12(16)8-11)18-15(20)19-14-7-3-6-13(17)9-14/h2-10H,1H3,(H2,18,19,20)
InChIKeyOCKUVZLGKCATBZ-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.99
Rot. Bonds3

About 1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea

1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea (PubChem CID 60736658) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea
PubChem CID60736658
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea
SMILESCC(NC(=O)Nc1cccc(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C15H14BrClN2O/c1-10(11-4-2-5-12(16)8-11)18-15(20)19-14-7-3-6-13(17)9-14/h2-10H,1H3,(H2,18,19,20)
InChIKeyOCKUVZLGKCATBZ-UHFFFAOYSA-N
XLogP4.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea
CID 47103423
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351
1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 60736302
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea
CID 27869054
1-(3-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
CID 17182100
1-[(1R)-1-(3-bromophenyl)ethyl]-3-(2,6-difluorophenyl)urea
CID 51944481
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
3-[[(1S)-1-(3-chlorophenyl)ethyl]carbamoylamino]-N-pyridin-2-ylbenzamide
CID 95144985
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide
CID 28558105
2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide
CID 107987920
1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17181664

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea (CID 60736658) is 1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea is CC(NC(=O)Nc1cccc(Cl)c1)c1cccc(Br)c1.
What is the InChIKey of 1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea?
The InChIKey is OCKUVZLGKCATBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-10(11-4-2-5-12(16)8-11)18-15(20)19-14-7-3-6-13(17)9-14/h2-10H,1H3,(H2,18,19,20).
What are the key properties of 1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea?
1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea has a molecular weight of 353.65 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 60736658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).