1-(4-chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea

C14H15ClN4O2 — CID 2321545

IUPAC1-(4-chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea
SMILESCn1cccc1CC(=O)NNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN4O2/c1-19-8-2-3-12(19)9-13(20)17-18-14(21)16-11-6-4-10(15)5-7-11/h2-8H,9H2,1H3,(H,17,20)(H2,16,18,21)
InChIKeyIYLVANNNZCQFJS-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.07
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea

1-(4-chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea (PubChem CID 2321545) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea
PubChem CID2321545
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name1-(4-chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea
SMILESCn1cccc1CC(=O)NNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN4O2/c1-19-8-2-3-12(19)9-13(20)17-18-14(21)16-11-6-4-10(15)5-7-11/h2-8H,9H2,1H3,(H,17,20)(H2,16,18,21)
InChIKeyIYLVANNNZCQFJS-UHFFFAOYSA-N
XLogP2.07
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-Dichlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]thiourea
CID 2325818
1-(2-Fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea
CID 4825620
1-(3-Chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea
CID 2321543
1-(4-Fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea
CID 2321546
1-(4-Chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]thiourea
CID 2327841
1-(2-Chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]thiourea
CID 2327853
1-(4-Fluorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]thiourea
CID 2327922
Hydrazinecarboxamide, N-(3-chlorophenyl)-2-((1-methyl-1H-pyrrol-2-yl)methylene)-
CID 9589541
Hydrazinecarboxamide, N-(4-chlorophenyl)-2-((1-methyl-1H-pyrrol-2-yl)methylene)-
CID 9589550
Hydrazinecarboxamide, N-(4-chlorophenyl)-2-(1H-pyrrol-2-ylmethylene)-
CID 135770476
2-[1-(3-Chlorophenyl)-1H-pyrrol-2-YL]-N-(propan-2-YL)acetamide
CID 53148021
2-[1-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-cyclopentylacetamide
CID 53147922

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea (CID 2321545) is 1-(4-chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea is Cn1cccc1CC(=O)NNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea?
The InChIKey is IYLVANNNZCQFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-19-8-2-3-12(19)9-13(20)17-18-14(21)16-11-6-4-10(15)5-7-11/h2-8H,9H2,1H3,(H,17,20)(H2,16,18,21).
What are the key properties of 1-(4-chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea?
1-(4-chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea has a molecular weight of 306.75 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]urea is sourced from PubChem (CID 2321545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).