1-(3-chlorophenyl)-3-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea

C18H20ClN3O2 — CID 110536127

IUPAC1-(3-chlorophenyl)-3-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea
SMILESCC(C)(C)Oc1ccc(/C=N\NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-18(2,3)24-16-9-7-13(8-10-16)12-20-22-17(23)21-15-6-4-5-14(19)11-15/h4-12H,1-3H3,(H2,21,22,23)/b20-12-
InChIKeyMOVNMDREKBRTAO-NDENLUEZSA-N
MW345.83 g/mol
LogP4.67
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea

1-(3-chlorophenyl)-3-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea (PubChem CID 110536127) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea
PubChem CID110536127
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name1-(3-chlorophenyl)-3-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea
SMILESCC(C)(C)Oc1ccc(/C=N\NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-18(2,3)24-16-9-7-13(8-10-16)12-20-22-17(23)21-15-6-4-5-14(19)11-15/h4-12H,1-3H3,(H2,21,22,23)/b20-12-
InChIKeyMOVNMDREKBRTAO-NDENLUEZSA-N
XLogP4.67
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.67
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-propan-2-yloxyphenyl)methylideneamino]urea
CID 110536999
1-(3-chlorophenyl)-3-[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 110537001
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-(3-chlorophenyl)-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 75087460
1-(3-chlorophenyl)-3-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]urea
CID 110534842
1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea
CID 115865549
4-[(Z)-[[2-(3-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 6042050
1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea
CID 19168555

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea (CID 110536127) is 1-(3-chlorophenyl)-3-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea is CC(C)(C)Oc1ccc(/C=N\NC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea?
The InChIKey is MOVNMDREKBRTAO-NDENLUEZSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-18(2,3)24-16-9-7-13(8-10-16)12-20-22-17(23)21-15-6-4-5-14(19)11-15/h4-12H,1-3H3,(H2,21,22,23)/b20-12-.
What are the key properties of 1-(3-chlorophenyl)-3-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea?
1-(3-chlorophenyl)-3-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea has a molecular weight of 345.83 g/mol, XLogP of 4.67, 4 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-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 110536127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).