1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea

C16H17BrN2O2 — CID 60736302

IUPAC1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(C)c2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11(12-4-3-5-13(17)10-12)18-16(20)19-14-6-8-15(21-2)9-7-14/h3-11H,1-2H3,(H2,18,19,20)
InChIKeySVPFHTSJHPUPCC-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.34
Rot. Bonds4

About 1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea

1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea (PubChem CID 60736302) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea
PubChem CID60736302
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(C)c2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11(12-4-3-5-13(17)10-12)18-16(20)19-14-6-8-15(21-2)9-7-14/h3-11H,1-2H3,(H2,18,19,20)
InChIKeySVPFHTSJHPUPCC-UHFFFAOYSA-N
XLogP4.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea
CID 60736658
1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55696724
1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108869400
1-[(1R)-1-(3-bromophenyl)ethyl]-3-(2,6-difluorophenyl)urea
CID 51944481
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 2793539
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
N-[4-[[1-(3-bromophenyl)ethylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
CID 42958138
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 133204286

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea (CID 60736302) is 1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NC(C)c2cccc(Br)c2)cc1.
What is the InChIKey of 1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea?
The InChIKey is SVPFHTSJHPUPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11(12-4-3-5-13(17)10-12)18-16(20)19-14-6-8-15(21-2)9-7-14/h3-11H,1-2H3,(H2,18,19,20).
What are the key properties of 1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea?
1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea has a molecular weight of 349.23 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)ethyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 60736302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).