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

C16H17BrN2O — CID 52590743

IUPAC1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1CCNC(=O)Nc1ccccc1Br
InChIInChI=1S/C16H17BrN2O/c1-12-6-2-3-7-13(12)10-11-18-16(20)19-15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyKDBPVFKHLHMFDO-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.12
Rot. Bonds4

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

1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea (PubChem CID 52590743) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
PubChem CID52590743
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1CCNC(=O)Nc1ccccc1Br
InChIInChI=1S/C16H17BrN2O/c1-12-6-2-3-7-13(12)10-11-18-16(20)19-15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyKDBPVFKHLHMFDO-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52543091
1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899779
1-[2-(2-bromophenyl)ethyl]-3-(4-iodo-2-methylphenyl)urea
CID 108900513
1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea
CID 108900542
1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899723
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486
1-(3-aminopropyl)-3-(2-bromophenyl)urea
CID 117235774
1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea
CID 108888015
3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 107519142
1-[2-(2-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108900450
tert-butyl N-[2-[(2-bromophenyl)carbamoylamino]ethyl]carbamate
CID 108864539

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea (CID 52590743) is 1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea is Cc1ccccc1CCNC(=O)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea?
The InChIKey is KDBPVFKHLHMFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-12-6-2-3-7-13(12)10-11-18-16(20)19-15-9-5-4-8-14(15)17/h2-9H,10-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea?
1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea has a molecular weight of 333.23 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 52590743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).