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

C14H15BrN2O2 — CID 47031796

IUPAC3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea
SMILESCCN(Cc1ccco1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O2/c1-2-17(10-13-4-3-9-19-13)14(18)16-12-7-5-11(15)6-8-12/h3-9H,2,10H2,1H3,(H,16,18)
InChIKeyPJDLNXICVZBPSC-UHFFFAOYSA-N
MW323.19 g/mol
LogP4.10
Rot. Bonds4

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

3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea (PubChem CID 47031796) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea
PubChem CID47031796
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea
SMILESCCN(Cc1ccco1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O2/c1-2-17(10-13-4-3-9-19-13)14(18)16-12-7-5-11(15)6-8-12/h3-9H,2,10H2,1H3,(H,16,18)
InChIKeyPJDLNXICVZBPSC-UHFFFAOYSA-N
XLogP4.10
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea
CID 1058618
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid
CID 61420973
5-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158037
3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]urea
CID 42702157
2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3983423
3-(4-bromophenyl)-1-[(4-ethylphenyl)methyl]-1-(furan-2-ylmethyl)thiourea
CID 4592206
1-ethyl-1-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 53499688
2-[(4-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4029795
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)carbamoyl-propan-2-ylamino]-N-(furan-2-ylmethyl)acetamide
CID 3556622
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266487
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea?
The IUPAC name of 3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea (CID 47031796) is 3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea is CCN(Cc1ccco1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea?
The InChIKey is PJDLNXICVZBPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-2-17(10-13-4-3-9-19-13)14(18)16-12-7-5-11(15)6-8-12/h3-9H,2,10H2,1H3,(H,16,18).
What are the key properties of 3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea?
3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea has a molecular weight of 323.19 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 47031796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).