1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)-3-phenylurea

C18H19N3O2 — CID 921968

IUPAC1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)-3-phenylurea
SMILESCOc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1
InChIInChI=1S/C18H19N3O2/c1-23-16-11-9-15(10-12-16)21(17-8-5-13-19-17)18(22)20-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,20,22)
InChIKeyBXSZIWJADRAOEC-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.93
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)-3-phenylurea

1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)-3-phenylurea (PubChem CID 921968) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)-3-phenylurea
PubChem CID921968
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)-3-phenylurea
SMILESCOc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1
InChIInChI=1S/C18H19N3O2/c1-23-16-11-9-15(10-12-16)21(17-8-5-13-19-17)18(22)20-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,20,22)
InChIKeyBXSZIWJADRAOEC-UHFFFAOYSA-N
XLogP3.93
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)urea
CID 929393
1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(3-methylphenyl)-1-phenylurea
CID 18575230
1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methylphenyl)-1-phenylurea
CID 18575271
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea
CID 102245871
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828
1-(4-methoxyphenyl)-1-methyl-3-phenylthiourea
CID 116508176
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-[3-(2,4-dichloropyrimidin-5-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-3-phenylurea
CID 87956668
N-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide
CID 22167067
N-[(4-methoxyphenyl)carbamoyl]-N-naphthalen-2-ylformamide
CID 173223898

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)-3-phenylurea?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)-3-phenylurea (CID 921968) is 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)-3-phenylurea.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)-3-phenylurea?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)-3-phenylurea is COc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)-3-phenylurea?
The InChIKey is BXSZIWJADRAOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-23-16-11-9-15(10-12-16)21(17-8-5-13-19-17)18(22)20-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,20,22).
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)-3-phenylurea?
1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)-3-phenylurea has a molecular weight of 309.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(4-methoxyphenyl)-3-phenylurea is sourced from PubChem (CID 921968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).