1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea

C19H19N3O — CID 56505271

IUPAC1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea
SMILESO=C(NCCc1ccccc1)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C19H19N3O/c23-19(20-12-11-16-7-2-1-3-8-16)21-17-9-6-10-18(15-17)22-13-4-5-14-22/h1-10,13-15H,11-12H2,(H2,20,21,23)
InChIKeyGNYVPYQBFKVTLX-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.84
Rot. Bonds5

About 1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea

1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea (PubChem CID 56505271) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea
PubChem CID56505271
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea
SMILESO=C(NCCc1ccccc1)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C19H19N3O/c23-19(20-12-11-16-7-2-1-3-8-16)21-17-9-6-10-18(15-17)22-13-4-5-14-22/h1-10,13-15H,11-12H2,(H2,20,21,23)
InChIKeyGNYVPYQBFKVTLX-UHFFFAOYSA-N
XLogP3.84
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
N-(2-phenylethyl)-3-pyrrol-1-ylaniline
CID 43732988
1-[3-(1-hydroxyethyl)phenyl]-3-(2-phenylethyl)urea
CID 61347620
N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide
CID 38215909
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea
CID 108886865
1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea
CID 60576890
4-(2-phenylethylcarbamoylamino)benzamide
CID 108888099
1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 69008943
3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid
CID 122078849
N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide
CID 70284914

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea?
The IUPAC name of 1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea (CID 56505271) is 1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea?
The canonical SMILES for 1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea is O=C(NCCc1ccccc1)Nc1cccc(-n2cccc2)c1.
What is the InChIKey of 1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea?
The InChIKey is GNYVPYQBFKVTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-19(20-12-11-16-7-2-1-3-8-16)21-17-9-6-10-18(15-17)22-13-4-5-14-22/h1-10,13-15H,11-12H2,(H2,20,21,23).
What are the key properties of 1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea?
1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea has a molecular weight of 305.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea is sourced from PubChem (CID 56505271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).