1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea

C19H21N3O2 — CID 108992265

IUPAC1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C19H21N3O2/c1-14(23)15-4-6-16(7-5-15)20-19(24)21-17-8-10-18(11-9-17)22-12-2-3-13-22/h4-11H,2-3,12-13H2,1H3,(H2,20,21,24)
InChIKeyHTDTUGJJPGVSBB-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.13
Rot. Bonds4

About 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea

1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea (PubChem CID 108992265) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
PubChem CID108992265
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C19H21N3O2/c1-14(23)15-4-6-16(7-5-15)20-19(24)21-17-8-10-18(11-9-17)22-12-2-3-13-22/h4-11H,2-3,12-13H2,1H3,(H2,20,21,24)
InChIKeyHTDTUGJJPGVSBB-UHFFFAOYSA-N
XLogP4.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108992269
N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108956184
N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409479
(E)-N'-(4-acetylphenyl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)but-2-enediamide
CID 110832410
1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea
CID 110706498
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 113175689
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
1-(3,5-dichlorophenyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108992520
1-propan-2-yl-3-[4-(4-pyrrolidin-1-ylanilino)phenyl]urea
CID 112988776

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea (CID 108992265) is 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea is CC(=O)c1ccc(NC(=O)Nc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea?
The InChIKey is HTDTUGJJPGVSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14(23)15-4-6-16(7-5-15)20-19(24)21-17-8-10-18(11-9-17)22-12-2-3-13-22/h4-11H,2-3,12-13H2,1H3,(H2,20,21,24).
What are the key properties of 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea?
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea has a molecular weight of 323.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea is sourced from PubChem (CID 108992265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).