1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea

C13H14ClN3O — CID 110747680

IUPAC1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea
SMILESO=C(NCCn1cccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O/c14-11-3-5-12(6-4-11)16-13(18)15-7-10-17-8-1-2-9-17/h1-6,8-9H,7,10H2,(H2,15,16,18)
InChIKeyZEVPJYPIDJZAGG-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.96
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea

1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea (PubChem CID 110747680) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea
PubChem CID110747680
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea
SMILESO=C(NCCn1cccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O/c14-11-3-5-12(6-4-11)16-13(18)15-7-10-17-8-1-2-9-17/h1-6,8-9H,7,10H2,(H2,15,16,18)
InChIKeyZEVPJYPIDJZAGG-UHFFFAOYSA-N
XLogP2.96
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)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

1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea
CID 90589085
1-(4-chlorophenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 121121634
1-(3-amino-3-sulfanylidenepropyl)-3-(4-chlorophenyl)urea
CID 62667276
1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 35766516
4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide
CID 70785091
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121120963
1-(4-chlorophenyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea
CID 90538547
1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 108868699
1-(4-chlorophenyl)-3-[2-(tritylamino)ethyl]urea
CID 134119794
1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea
CID 155436724

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea (CID 110747680) is 1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea is O=C(NCCn1cccc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea?
The InChIKey is ZEVPJYPIDJZAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-11-3-5-12(6-4-11)16-13(18)15-7-10-17-8-1-2-9-17/h1-6,8-9H,7,10H2,(H2,15,16,18).
What are the key properties of 1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea?
1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea has a molecular weight of 263.73 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-pyrrol-1-ylethyl)urea is sourced from PubChem (CID 110747680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).