1-(4-chlorophenyl)-3-[(E)-1,5,6,7-tetrahydroindol-4-ylideneamino]urea

C15H15ClN4O — CID 135967831

IUPAC1-(4-chlorophenyl)-3-[(E)-1,5,6,7-tetrahydroindol-4-ylideneamino]urea
SMILESO=C(N/N=C1\CCCc2[nH]ccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN4O/c16-10-4-6-11(7-5-10)18-15(21)20-19-14-3-1-2-13-12(14)8-9-17-13/h4-9,17H,1-3H2,(H2,18,20,21)/b19-14+
InChIKeySECYRZPXTRBVNN-XMHGGMMESA-N
MW302.76 g/mol
LogP3.53
Rot. Bonds2

About 1-(4-chlorophenyl)-3-[(E)-1,5,6,7-tetrahydroindol-4-ylideneamino]urea

1-(4-chlorophenyl)-3-[(E)-1,5,6,7-tetrahydroindol-4-ylideneamino]urea (PubChem CID 135967831) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(E)-1,5,6,7-tetrahydroindol-4-ylideneamino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(E)-1,5,6,7-tetrahydroindol-4-ylideneamino]urea
PubChem CID135967831
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC Name1-(4-chlorophenyl)-3-[(E)-1,5,6,7-tetrahydroindol-4-ylideneamino]urea
SMILESO=C(N/N=C1\CCCc2[nH]ccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN4O/c16-10-4-6-11(7-5-10)18-15(21)20-19-14-3-1-2-13-12(14)8-9-17-13/h4-9,17H,1-3H2,(H2,18,20,21)/b19-14+
InChIKeySECYRZPXTRBVNN-XMHGGMMESA-N
XLogP3.53
TPSA69.28 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-[3-(1H-pyrrol-2-yl)phenyl]urea
CID 135376115
(E)-N-(4-chlorophenyl)-2-(3-ethyl-2-methyl-6,7-dihydro-1H-indol-4(5H)-ylidene)-1-methylhydrazinecarboxamide
CID 135401986
(E)-N-(4-chlorophenyl)-2-(3-ethyl-2-methyl-6,7-dihydro-1H-indol-4(5H)-ylidene)hydrazinecarboxamide
CID 135967866
(E)-N-(4-chlorophenyl)-2-(2,3-dimethyl-6,7-dihydro-1H-indol-4(5H)-ylidene)hydrazinecarboxamide
CID 135967871
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylurea
CID 667366
1-[(2-chlorophenyl)methyl]-3-[(Z)-1H-indol-3-ylmethylideneamino]thiourea
CID 135886402
RXFP3 agonist 1
CID 162679306
1-[(E)-(5-chloro-1H-indol-3-yl)methylideneamino]-2-[2-(4-chlorophenyl)ethyl]guanidine
CID 166632353
1-(4-chlorophenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]urea
CID 12608474
3-{(E)-[2-(4-chlorophenyl)hydrazinylidene]methyl}-1H-indole
CID 135608016
(E)-2-((1H-Indol-3-yl)methylene)hydrazinecarboxamide
CID 135400534
Hydrazinecarboxamide, N-(4-chlorophenyl)-2-((1-methyl-1H-pyrrol-2-yl)methylene)-
CID 9589550

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(E)-1,5,6,7-tetrahydroindol-4-ylideneamino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(E)-1,5,6,7-tetrahydroindol-4-ylideneamino]urea (CID 135967831) is 1-(4-chlorophenyl)-3-[(E)-1,5,6,7-tetrahydroindol-4-ylideneamino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(E)-1,5,6,7-tetrahydroindol-4-ylideneamino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(E)-1,5,6,7-tetrahydroindol-4-ylideneamino]urea is O=C(N/N=C1\CCCc2[nH]ccc21)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(E)-1,5,6,7-tetrahydroindol-4-ylideneamino]urea?
The InChIKey is SECYRZPXTRBVNN-XMHGGMMESA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-10-4-6-11(7-5-10)18-15(21)20-19-14-3-1-2-13-12(14)8-9-17-13/h4-9,17H,1-3H2,(H2,18,20,21)/b19-14+.
What are the key properties of 1-(4-chlorophenyl)-3-[(E)-1,5,6,7-tetrahydroindol-4-ylideneamino]urea?
1-(4-chlorophenyl)-3-[(E)-1,5,6,7-tetrahydroindol-4-ylideneamino]urea has a molecular weight of 302.76 g/mol, XLogP of 3.53, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(E)-1,5,6,7-tetrahydroindol-4-ylideneamino]urea is sourced from PubChem (CID 135967831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).