1-(3-chlorophenyl)-3-[(Z)-(3-propoxyphenyl)methylideneamino]urea

C17H18ClN3O2 — CID 110536997

IUPAC1-(3-chlorophenyl)-3-[(Z)-(3-propoxyphenyl)methylideneamino]urea
SMILESCCCOc1cccc(/C=N\NC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClN3O2/c1-2-9-23-16-8-3-5-13(10-16)12-19-21-17(22)20-15-7-4-6-14(18)11-15/h3-8,10-12H,2,9H2,1H3,(H2,20,21,22)/b19-12-
InChIKeyLPOYAYFZUAUXQT-UNOMPAQXSA-N
MW331.80 g/mol
LogP4.28
Rot. Bonds6

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

1-(3-chlorophenyl)-3-[(Z)-(3-propoxyphenyl)methylideneamino]urea (PubChem CID 110536997) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(Z)-(3-propoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(Z)-(3-propoxyphenyl)methylideneamino]urea
PubChem CID110536997
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name1-(3-chlorophenyl)-3-[(Z)-(3-propoxyphenyl)methylideneamino]urea
SMILESCCCOc1cccc(/C=N\NC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClN3O2/c1-2-9-23-16-8-3-5-13(10-16)12-19-21-17(22)20-15-7-4-6-14(18)11-15/h3-8,10-12H,2,9H2,1H3,(H2,20,21,22)/b19-12-
InChIKeyLPOYAYFZUAUXQT-UNOMPAQXSA-N
XLogP4.28
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.28
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-[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 110537001
1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea
CID 17096715
2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 110340424
1-(3-chlorophenyl)-3-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]urea
CID 110533106
N-(3,4-dimethylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989189
N-methyl-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989199
N-(4-methylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989208
1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea
CID 110534056
N-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 4135098
1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea
CID 110536999
1-(3-chlorophenyl)-3-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea
CID 110536127
N'-[(Z)-[3-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide
CID 126270674

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(Z)-(3-propoxyphenyl)methylideneamino]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(Z)-(3-propoxyphenyl)methylideneamino]urea (CID 110536997) is 1-(3-chlorophenyl)-3-[(Z)-(3-propoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(Z)-(3-propoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(Z)-(3-propoxyphenyl)methylideneamino]urea is CCCOc1cccc(/C=N\NC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(Z)-(3-propoxyphenyl)methylideneamino]urea?
The InChIKey is LPOYAYFZUAUXQT-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-2-9-23-16-8-3-5-13(10-16)12-19-21-17(22)20-15-7-4-6-14(18)11-15/h3-8,10-12H,2,9H2,1H3,(H2,20,21,22)/b19-12-.
What are the key properties of 1-(3-chlorophenyl)-3-[(Z)-(3-propoxyphenyl)methylideneamino]urea?
1-(3-chlorophenyl)-3-[(Z)-(3-propoxyphenyl)methylideneamino]urea has a molecular weight of 331.80 g/mol, XLogP of 4.28, 6 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)-(3-propoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 110536997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).