1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea

C14H15BrN2O2 — CID 108873114

IUPAC1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea
SMILESCc1cccc(CCNC(=O)Nc2ccc(Br)o2)c1
InChIInChI=1S/C14H15BrN2O2/c1-10-3-2-4-11(9-10)7-8-16-14(18)17-13-6-5-12(15)19-13/h2-6,9H,7-8H2,1H3,(H2,16,17,18)
InChIKeyKNBODEUFPIBIOW-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.71
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea

1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea (PubChem CID 108873114) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea
PubChem CID108873114
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea
SMILESCc1cccc(CCNC(=O)Nc2ccc(Br)o2)c1
InChIInChI=1S/C14H15BrN2O2/c1-10-3-2-4-11(9-10)7-8-16-14(18)17-13-6-5-12(15)19-13/h2-6,9H,7-8H2,1H3,(H2,16,17,18)
InChIKeyKNBODEUFPIBIOW-UHFFFAOYSA-N
XLogP3.71
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]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

N-[2-[(5-bromofuran-2-yl)carbamoylamino]ethyl]acetamide
CID 108873033
1-[2-(3-methylphenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871999
1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900768
1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea
CID 108873105
1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108900770
1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900857
2-[4-[2-(3-methylphenyl)ethylcarbamoylamino]phenyl]acetic acid
CID 108900747
1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910466
2-bromo-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62855844
(2R)-4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 62315044
4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 62313412
1-cyano-N-[2-(3-methylphenyl)ethyl]formamide
CID 115172562

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea?
The IUPAC name of 1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea (CID 108873114) is 1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea is Cc1cccc(CCNC(=O)Nc2ccc(Br)o2)c1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea?
The InChIKey is KNBODEUFPIBIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-10-3-2-4-11(9-10)7-8-16-14(18)17-13-6-5-12(15)19-13/h2-6,9H,7-8H2,1H3,(H2,16,17,18).
What are the key properties of 1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea?
1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea has a molecular weight of 323.19 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-3-[2-(3-methylphenyl)ethyl]urea is sourced from PubChem (CID 108873114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).