1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea

C17H15ClN4O — CID 110537286

IUPAC1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea
SMILESCn1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H15ClN4O/c1-22-11-12(15-7-2-3-8-16(15)22)10-19-21-17(23)20-14-6-4-5-13(18)9-14/h2-11H,1H3,(H2,20,21,23)/b19-10-
InChIKeyFYXYUHGDHSJBMY-GRSHGNNSSA-N
MW326.79 g/mol
LogP3.99
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea

1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea (PubChem CID 110537286) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea
PubChem CID110537286
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea
SMILESCn1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H15ClN4O/c1-22-11-12(15-7-2-3-8-16(15)22)10-19-21-17(23)20-14-6-4-5-13(18)9-14/h2-11H,1H3,(H2,20,21,23)/b19-10-
InChIKeyFYXYUHGDHSJBMY-GRSHGNNSSA-N
XLogP3.99
TPSA58.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea
CID 40519573
3-chloro-N-[2-[2-[(1-methylindol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3916491
[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 5407269
2-chloro-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 23476934
1-(3-chlorophenyl)-3-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]urea
CID 110534842
1-(3-chlorophenyl)-3-[(Z)-(2,6-dichlorophenyl)methylideneamino]urea
CID 110536315
N-(3-chlorophenyl)-1-(1-methylindol-3-yl)methanimine
CID 2321746
1-(3-chlorophenyl)-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 19172582
1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea
CID 110533512
4-iodo-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 53371356
2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 110515655
1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea
CID 136781887

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea (CID 110537286) is 1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea is Cn1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea?
The InChIKey is FYXYUHGDHSJBMY-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-22-11-12(15-7-2-3-8-16(15)22)10-19-21-17(23)20-14-6-4-5-13(18)9-14/h2-11H,1H3,(H2,20,21,23)/b19-10-.
What are the key properties of 1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea?
1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea has a molecular weight of 326.79 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(Z)-(1-methylindol-3-yl)methylideneamino]urea is sourced from PubChem (CID 110537286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).