[(Z)-1-(4-chlorophenyl)butylideneamino]urea

C11H14ClN3O — CID 8971834

IUPAC[(Z)-1-(4-chlorophenyl)butylideneamino]urea
SMILESCCC/C(=N/NC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN3O/c1-2-3-10(14-15-11(13)16)8-4-6-9(12)7-5-8/h4-7H,2-3H2,1H3,(H3,13,15,16)/b14-10-
InChIKeyYCQKYESNBDNQSX-UVTDQMKNSA-N
MW239.71 g/mol
LogP2.51
Rot. Bonds4

About [(Z)-1-(4-chlorophenyl)butylideneamino]urea

[(Z)-1-(4-chlorophenyl)butylideneamino]urea (PubChem CID 8971834) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is [(Z)-1-(4-chlorophenyl)butylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-(4-chlorophenyl)butylideneamino]urea
PubChem CID8971834
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name[(Z)-1-(4-chlorophenyl)butylideneamino]urea
SMILESCCC/C(=N/NC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN3O/c1-2-3-10(14-15-11(13)16)8-4-6-9(12)7-5-8/h4-7H,2-3H2,1H3,(H3,13,15,16)/b14-10-
InChIKeyYCQKYESNBDNQSX-UVTDQMKNSA-N
XLogP2.51
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.51
H-Bond Donors ≤ 52
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-[(Z)-1-(4-chlorophenyl)butylideneamino]-3-ethylthiourea
CID 8978742
2-(benzenesulfonamido)-N-[(Z)-1-(4-chlorophenyl)butylideneamino]acetamide
CID 9237180
[(Z)-1-(4-methylphenyl)dodecylideneamino]urea
CID 6056563
N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 6011612
N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide
CID 6029977
[(Z)-1-(3-nitrophenyl)butylideneamino]urea
CID 9017207
4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid
CID 131861254
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052
ethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate
CID 86662431
2-(4-bromophenyl)-N-[(Z)-1-(4-chlorophenyl)pentylideneamino]acetamide
CID 27524437
2,4-dichloro-N-[(E)-1-(4-ethoxyphenyl)butylideneamino]benzamide
CID 7230039
[1-(4-amino-3-methylphenyl)propylideneamino]urea
CID 130155098

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(4-chlorophenyl)butylideneamino]urea?
The IUPAC name of [(Z)-1-(4-chlorophenyl)butylideneamino]urea (CID 8971834) is [(Z)-1-(4-chlorophenyl)butylideneamino]urea.
What is the SMILES notation for [(Z)-1-(4-chlorophenyl)butylideneamino]urea?
The canonical SMILES for [(Z)-1-(4-chlorophenyl)butylideneamino]urea is CCC/C(=N/NC(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of [(Z)-1-(4-chlorophenyl)butylideneamino]urea?
The InChIKey is YCQKYESNBDNQSX-UVTDQMKNSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-2-3-10(14-15-11(13)16)8-4-6-9(12)7-5-8/h4-7H,2-3H2,1H3,(H3,13,15,16)/b14-10-.
What are the key properties of [(Z)-1-(4-chlorophenyl)butylideneamino]urea?
[(Z)-1-(4-chlorophenyl)butylideneamino]urea has a molecular weight of 239.71 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(4-chlorophenyl)butylideneamino]urea is sourced from PubChem (CID 8971834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).