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

C16H16BrClN2O — CID 108899597

IUPAC1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea
SMILESO=C(NCCc1ccccc1Cl)NCc1ccc(Br)cc1
InChIInChI=1S/C16H16BrClN2O/c17-14-7-5-12(6-8-14)11-20-16(21)19-10-9-13-3-1-2-4-15(13)18/h1-8H,9-11H2,(H2,19,20,21)
InChIKeyLGEYHTKQXNEXCQ-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.14
Rot. Bonds5

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

1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea (PubChem CID 108899597) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea
PubChem CID108899597
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea
SMILESO=C(NCCc1ccccc1Cl)NCc1ccc(Br)cc1
InChIInChI=1S/C16H16BrClN2O/c17-14-7-5-12(6-8-14)11-20-16(21)19-10-9-13-3-1-2-4-15(13)18/h1-8H,9-11H2,(H2,19,20,21)
InChIKeyLGEYHTKQXNEXCQ-UHFFFAOYSA-N
XLogP4.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891006
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108897450
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 108867353
1-[2-(4-bromophenyl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 108902320
1-(2-aminoethyl)-3-[(4-bromophenyl)methyl]urea
CID 117235648
1-[(4-bromophenyl)methyl]-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 108875097
1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988923
1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea
CID 108902238
1-[2-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108900299

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea (CID 108899597) is 1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea is O=C(NCCc1ccccc1Cl)NCc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea?
The InChIKey is LGEYHTKQXNEXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c17-14-7-5-12(6-8-14)11-20-16(21)19-10-9-13-3-1-2-4-15(13)18/h1-8H,9-11H2,(H2,19,20,21).
What are the key properties of 1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea?
1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea has a molecular weight of 367.67 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea is sourced from PubChem (CID 108899597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).