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

C16H16BrClN2O — CID 108902232

IUPAC1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCCc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C16H16BrClN2O/c1-11-2-7-14(10-15(11)18)20-16(21)19-9-8-12-3-5-13(17)6-4-12/h2-7,10H,8-9H2,1H3,(H2,19,20,21)
InChIKeyRRLCPMQIVIWJMJ-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.78
Rot. Bonds4

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

1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea (PubChem CID 108902232) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
PubChem CID108902232
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCCc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C16H16BrClN2O/c1-11-2-7-14(10-15(11)18)20-16(21)19-9-8-12-3-5-13(17)6-4-12/h2-7,10H,8-9H2,1H3,(H2,19,20,21)
InChIKeyRRLCPMQIVIWJMJ-UHFFFAOYSA-N
XLogP4.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 108894116
1-[2-(2-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108900450
1-(3-chloro-4-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]thiourea
CID 19649646
1-(3-chloro-4-methylphenyl)-3-(3-oxobutyl)urea
CID 108894961
1-(4-aminophenyl)-3-[2-(4-bromophenyl)ethyl]urea
CID 108897083
1-[2-(4-bromophenyl)ethyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108902269
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901858
1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217307
1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 81288618
1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 19649925

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea (CID 108902232) is 1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea is Cc1ccc(NC(=O)NCCc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea?
The InChIKey is RRLCPMQIVIWJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-11-2-7-14(10-15(11)18)20-16(21)19-9-8-12-3-5-13(17)6-4-12/h2-7,10H,8-9H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea?
1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea has a molecular weight of 367.67 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea is sourced from PubChem (CID 108902232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).