1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea

C15H17Cl2N3O2 — CID 111970018

IUPAC1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea
SMILESO=C(NCCn1cccc1)NCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3O2/c16-11-3-4-12(13(17)9-11)14(21)10-19-15(22)18-5-8-20-6-1-2-7-20/h1-4,6-7,9,14,21H,5,8,10H2,(H2,18,19,22)
InChIKeyJQVIRZQJNNOZRO-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.83
Rot. Bonds6

About 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea

1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea (PubChem CID 111970018) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea
PubChem CID111970018
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea
SMILESO=C(NCCn1cccc1)NCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3O2/c16-11-3-4-12(13(17)9-11)14(21)10-19-15(22)18-5-8-20-6-1-2-7-20/h1-4,6-7,9,14,21H,5,8,10H2,(H2,18,19,22)
InChIKeyJQVIRZQJNNOZRO-UHFFFAOYSA-N
XLogP2.83
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea
CID 111969990
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3-dimethylbutanamide
CID 111115633
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 111115704
1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 111117190
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 94172086
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 51083657
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide
CID 111115700
(1R,5S)-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076703
N'-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-N-prop-2-ynylpropanediamide
CID 110017546
(1R,5S)-N-[(2R)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076704
2-cyano-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]benzamide
CID 111831116
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 110000203

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea (CID 111970018) is 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea is O=C(NCCn1cccc1)NCC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea?
The InChIKey is JQVIRZQJNNOZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c16-11-3-4-12(13(17)9-11)14(21)10-19-15(22)18-5-8-20-6-1-2-7-20/h1-4,6-7,9,14,21H,5,8,10H2,(H2,18,19,22).
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea?
1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea has a molecular weight of 342.23 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea is sourced from PubChem (CID 111970018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).