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

C16H17BrN2O — CID 108888015

IUPAC1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCCc2ccccc2Br)c1
InChIInChI=1S/C16H17BrN2O/c1-12-5-4-7-14(11-12)19-16(20)18-10-9-13-6-2-3-8-15(13)17/h2-8,11H,9-10H2,1H3,(H2,18,19,20)
InChIKeyBFCMHAVXUFBKHD-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.12
Rot. Bonds4

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

1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea (PubChem CID 108888015) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea
PubChem CID108888015
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCCc2ccccc2Br)c1
InChIInChI=1S/C16H17BrN2O/c1-12-5-4-7-14(11-12)19-16(20)18-10-9-13-6-2-3-8-15(13)17/h2-8,11H,9-10H2,1H3,(H2,18,19,20)
InChIKeyBFCMHAVXUFBKHD-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-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688
1-[2-(2-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108900450
1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 49110917
1-[2-(4,5-dimethylthiophen-3-yl)ethyl]-3-(3-methylphenyl)urea
CID 22575169
1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea
CID 108900542
1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 108868699
1-[2-(2-bromophenyl)ethyl]-3-(4-iodophenyl)urea
CID 108900609
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
1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61132641
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(2-bromophenyl)ethyl]urea
CID 108900585
1-[2-(2-bromophenyl)ethyl]-3-[4-(diethylamino)phenyl]urea
CID 108900589

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea (CID 108888015) is 1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NCCc2ccccc2Br)c1.
What is the InChIKey of 1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea?
The InChIKey is BFCMHAVXUFBKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-12-5-4-7-14(11-12)19-16(20)18-10-9-13-6-2-3-8-15(13)17/h2-8,11H,9-10H2,1H3,(H2,18,19,20).
What are the key properties of 1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea?
1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)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-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 108888015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).