3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea

C20H19BrN2O2 — CID 1058618

IUPAC3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea
SMILESO=C(Nc1ccc(Br)cc1)N(CCc1ccccc1)Cc1ccco1
InChIInChI=1S/C20H19BrN2O2/c21-17-8-10-18(11-9-17)22-20(24)23(15-19-7-4-14-25-19)13-12-16-5-2-1-3-6-16/h1-11,14H,12-13,15H2,(H,22,24)
InChIKeyUSKNWRUBFYLUPO-UHFFFAOYSA-N
MW399.29 g/mol
LogP5.32
Rot. Bonds6

About 3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea

3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea (PubChem CID 1058618) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea
PubChem CID1058618
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC Name3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea
SMILESO=C(Nc1ccc(Br)cc1)N(CCc1ccccc1)Cc1ccco1
InChIInChI=1S/C20H19BrN2O2/c21-17-8-10-18(11-9-17)22-20(24)23(15-19-7-4-14-25-19)13-12-16-5-2-1-3-6-16/h1-11,14H,12-13,15H2,(H,22,24)
InChIKeyUSKNWRUBFYLUPO-UHFFFAOYSA-N
XLogP5.32
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.29
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3983423
3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea
CID 47031796
N-(furan-2-ylmethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 42773267
3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea
CID 42702157
2-[(3,4-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 5183118
2-[(3,4-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 4597509
2-[(2-bromophenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 5038779
1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 90495819
N'-benzyl-N'-(furan-2-ylmethyl)-N-phenyloxamide
CID 75493351
N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 772554
2-[(2-bromophenyl)carbamoyl-butan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3624786
2-[(4-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4029795

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea?
The IUPAC name of 3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea (CID 1058618) is 3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea.
What is the SMILES notation for 3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea?
The canonical SMILES for 3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea is O=C(Nc1ccc(Br)cc1)N(CCc1ccccc1)Cc1ccco1.
What is the InChIKey of 3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea?
The InChIKey is USKNWRUBFYLUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c21-17-8-10-18(11-9-17)22-20(24)23(15-19-7-4-14-25-19)13-12-16-5-2-1-3-6-16/h1-11,14H,12-13,15H2,(H,22,24).
What are the key properties of 3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea?
3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea has a molecular weight of 399.29 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea is sourced from PubChem (CID 1058618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).