1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea

C17H18ClN3O2 — CID 110536999

IUPAC1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea
SMILESCC(C)Oc1ccc(/C=N\NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClN3O2/c1-12(2)23-16-8-6-13(7-9-16)11-19-21-17(22)20-15-5-3-4-14(18)10-15/h3-12H,1-2H3,(H2,20,21,22)/b19-11-
InChIKeyORXDZFISEGVNFO-ODLFYWEKSA-N
MW331.80 g/mol
LogP4.28
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea

1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea (PubChem CID 110536999) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea
PubChem CID110536999
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea
SMILESCC(C)Oc1ccc(/C=N\NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClN3O2/c1-12(2)23-16-8-6-13(7-9-16)11-19-21-17(22)20-15-5-3-4-14(18)10-15/h3-12H,1-2H3,(H2,20,21,22)/b19-11-
InChIKeyORXDZFISEGVNFO-ODLFYWEKSA-N
XLogP4.28
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea
CID 110536127
3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5456482
1-(3-chlorophenyl)-3-[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 110537001
1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea
CID 110534056
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
(2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 124649475
1-(3-chlorophenyl)-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 19172582
1-(3-chlorophenyl)-3-[(Z)-(3-propoxyphenyl)methylideneamino]urea
CID 110536997
1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea
CID 136781887
N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3336715
1-(3-chlorophenyl)-3-[(Z)-(2,6-dichlorophenyl)methylideneamino]urea
CID 110536315
1-(4-chlorophenyl)-3-[(Z)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]urea
CID 110532392

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea (CID 110536999) is 1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea is CC(C)Oc1ccc(/C=N\NC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea?
The InChIKey is ORXDZFISEGVNFO-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-12(2)23-16-8-6-13(7-9-16)11-19-21-17(22)20-15-5-3-4-14(18)10-15/h3-12H,1-2H3,(H2,20,21,22)/b19-11-.
What are the key properties of 1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea?
1-(3-chlorophenyl)-3-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]urea has a molecular weight of 331.80 g/mol, XLogP of 4.28, 5 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)-(4-propan-2-yloxyphenyl)methylideneamino]urea is sourced from PubChem (CID 110536999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).