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

C16H16BrClN2O — CID 108900542

IUPAC1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea
SMILESCc1cc(Cl)ccc1NC(=O)NCCc1ccccc1Br
InChIInChI=1S/C16H16BrClN2O/c1-11-10-13(18)6-7-15(11)20-16(21)19-9-8-12-4-2-3-5-14(12)17/h2-7,10H,8-9H2,1H3,(H2,19,20,21)
InChIKeyHFLYQGGNCDMNIQ-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.78
Rot. Bonds4

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

1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea (PubChem CID 108900542) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea
PubChem CID108900542
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea
SMILESCc1cc(Cl)ccc1NC(=O)NCCc1ccccc1Br
InChIInChI=1S/C16H16BrClN2O/c1-11-10-13(18)6-7-15(11)20-16(21)19-9-8-12-4-2-3-5-14(12)17/h2-7,10H,8-9H2,1H3,(H2,19,20,21)
InChIKeyHFLYQGGNCDMNIQ-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-(2-bromophenyl)ethyl]-3-(4-iodo-2-methylphenyl)urea
CID 108900513
1-[2-(2-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108900450
1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 108868699
1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea
CID 108990499
1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea
CID 108888015
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52590743
1-[(2-bromophenyl)methyl]-3-(4-chloro-2-methylphenyl)thiourea
CID 3482975
3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038528
1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52543091
1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969838
1-[(2-bromophenyl)methyl]-3-(2,4-dimethylphenyl)urea
CID 108897860

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea?
The IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea (CID 108900542) is 1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea.
What is the SMILES notation for 1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea?
The canonical SMILES for 1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea is Cc1cc(Cl)ccc1NC(=O)NCCc1ccccc1Br.
What is the InChIKey of 1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea?
The InChIKey is HFLYQGGNCDMNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-11-10-13(18)6-7-15(11)20-16(21)19-9-8-12-4-2-3-5-14(12)17/h2-7,10H,8-9H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea?
1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-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-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea is sourced from PubChem (CID 108900542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).