[(Z)-[1-(4-chlorophenyl)-2,2-dimethoxyethylidene]amino]urea

C11H14ClN3O3 — CID 6281801

IUPAC[(Z)-[1-(4-chlorophenyl)-2,2-dimethoxyethylidene]amino]urea
SMILESCOC(OC)/C(=N\NC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN3O3/c1-17-10(18-2)9(14-15-11(13)16)7-3-5-8(12)6-4-7/h3-6,10H,1-2H3,(H3,13,15,16)/b14-9-
InChIKeyFJZUUAPEZFZEPB-ZROIWOOFSA-N
MW271.70 g/mol
LogP1.33
Rot. Bonds5

About [(Z)-[1-(4-chlorophenyl)-2,2-dimethoxyethylidene]amino]urea

[(Z)-[1-(4-chlorophenyl)-2,2-dimethoxyethylidene]amino]urea (PubChem CID 6281801) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is [(Z)-[1-(4-chlorophenyl)-2,2-dimethoxyethylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[1-(4-chlorophenyl)-2,2-dimethoxyethylidene]amino]urea
PubChem CID6281801
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name[(Z)-[1-(4-chlorophenyl)-2,2-dimethoxyethylidene]amino]urea
SMILESCOC(OC)/C(=N\NC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN3O3/c1-17-10(18-2)9(14-15-11(13)16)7-3-5-8(12)6-4-7/h3-6,10H,1-2H3,(H3,13,15,16)/b14-9-
InChIKeyFJZUUAPEZFZEPB-ZROIWOOFSA-N
XLogP1.33
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-(4-chlorophenyl)butylideneamino]urea
CID 8971834
[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea
CID 23274048
[(E)-1-[4-[(4-chlorophenyl)carbamothioylamino]phenyl]ethylideneamino]urea
CID 177464678
tert-butyl N-[[amino-(4-chlorophenyl)methylidene]amino]carbamate
CID 57364795
[(4-chlorophenyl)-methoxymethyl]urea
CID 54239843
ethyl N-[[1-(4-chlorophenyl)-2-hydroxy-2-phenylethylidene]amino]carbamate
CID 139609028
dimethyl (2E,3S)-2-(carbamoylhydrazinylidene)-3-[2-(4-chloroanilino)-2-oxoacetyl]butanedioate
CID 92530972
methyl 2-chloro-3-(4-chlorophenyl)-3-oxopropanoate
CID 82479665
methyl (Z)-4-amino-3-(4-chlorophenyl)-4-oxobut-2-enoate
CID 139808821
(3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide
CID 6091907
[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611

Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-(4-chlorophenyl)-2,2-dimethoxyethylidene]amino]urea?
The IUPAC name of [(Z)-[1-(4-chlorophenyl)-2,2-dimethoxyethylidene]amino]urea (CID 6281801) is [(Z)-[1-(4-chlorophenyl)-2,2-dimethoxyethylidene]amino]urea.
What is the SMILES notation for [(Z)-[1-(4-chlorophenyl)-2,2-dimethoxyethylidene]amino]urea?
The canonical SMILES for [(Z)-[1-(4-chlorophenyl)-2,2-dimethoxyethylidene]amino]urea is COC(OC)/C(=N\NC(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of [(Z)-[1-(4-chlorophenyl)-2,2-dimethoxyethylidene]amino]urea?
The InChIKey is FJZUUAPEZFZEPB-ZROIWOOFSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-17-10(18-2)9(14-15-11(13)16)7-3-5-8(12)6-4-7/h3-6,10H,1-2H3,(H3,13,15,16)/b14-9-.
What are the key properties of [(Z)-[1-(4-chlorophenyl)-2,2-dimethoxyethylidene]amino]urea?
[(Z)-[1-(4-chlorophenyl)-2,2-dimethoxyethylidene]amino]urea has a molecular weight of 271.70 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-(4-chlorophenyl)-2,2-dimethoxyethylidene]amino]urea is sourced from PubChem (CID 6281801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).