1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea

C15H17BrN2O2 — CID 60569703

IUPAC1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1occc1CNC(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C15H17BrN2O2/c1-10(13-5-3-4-6-14(13)16)18-15(19)17-9-12-7-8-20-11(12)2/h3-8,10H,9H2,1-2H3,(H2,17,18,19)
InChIKeyYPQSPOKCFGYYRF-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.91
Rot. Bonds4

About 1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea

1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea (PubChem CID 60569703) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
PubChem CID60569703
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1occc1CNC(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C15H17BrN2O2/c1-10(13-5-3-4-6-14(13)16)18-15(19)17-9-12-7-8-20-11(12)2/h3-8,10H,9H2,1-2H3,(H2,17,18,19)
InChIKeyYPQSPOKCFGYYRF-UHFFFAOYSA-N
XLogP3.91
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 96530805
1-[1-(2-bromophenyl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 134006420
1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103914
1-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 97066307
1-[(1R)-1-(2-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 33252364
1-[1-(2-bromophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 55483025
1-[1-(2-bromophenyl)ethyl]-3-(3-phenylpropyl)urea
CID 74636274
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 8759712
1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 51274243
1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 41134387
(2-methylfuran-3-yl)methylurea
CID 130639643
N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 42998474

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea?
The IUPAC name of 1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea (CID 60569703) is 1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea.
What is the SMILES notation for 1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea?
The canonical SMILES for 1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea is Cc1occc1CNC(=O)NC(C)c1ccccc1Br.
What is the InChIKey of 1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea?
The InChIKey is YPQSPOKCFGYYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10(13-5-3-4-6-14(13)16)18-15(19)17-9-12-7-8-20-11(12)2/h3-8,10H,9H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea?
1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea has a molecular weight of 337.22 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea is sourced from PubChem (CID 60569703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).