1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea

C15H14BrClN2O — CID 108868699

IUPAC1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea
SMILESO=C(NCCc1ccccc1Br)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClN2O/c16-14-4-2-1-3-11(14)9-10-18-15(20)19-13-7-5-12(17)6-8-13/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyRCLAHKVOUNTCJZ-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.47
Rot. Bonds4

About 1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea

1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea (PubChem CID 108868699) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea
PubChem CID108868699
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea
SMILESO=C(NCCc1ccccc1Br)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClN2O/c16-14-4-2-1-3-11(14)9-10-18-15(20)19-13-7-5-12(17)6-8-13/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyRCLAHKVOUNTCJZ-UHFFFAOYSA-N
XLogP4.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-bromophenyl)ethyl]-3-(4-iodophenyl)urea
CID 108900609
1-[2-(2-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108900450
1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea
CID 108900492
1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea
CID 108900589
1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea
CID 108900542
1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea
CID 108888015
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 49110917
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(2-bromophenyl)ethyl]urea
CID 108900585
1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea
CID 155436724
1-[2-(2-bromophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 49110521
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea (CID 108868699) is 1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea is O=C(NCCc1ccccc1Br)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea?
The InChIKey is RCLAHKVOUNTCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c16-14-4-2-1-3-11(14)9-10-18-15(20)19-13-7-5-12(17)6-8-13/h1-8H,9-10H2,(H2,18,19,20).
What are the key properties of 1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea?
1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea has a molecular weight of 353.65 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 108868699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).