[[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea

C14H11Cl2N3O — CID 3249905

IUPAC[[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea
SMILESNC(=O)NN=C(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2N3O/c15-11-7-6-10(8-12(11)16)13(18-19-14(17)20)9-4-2-1-3-5-9/h1-8H,(H3,17,19,20)
InChIKeyRHPDZIURFDSKAN-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.41
Rot. Bonds3

About [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea

[[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea (PubChem CID 3249905) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea.

Molecular Properties

Compound Name[[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea
PubChem CID3249905
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name[[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea
SMILESNC(=O)NN=C(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2N3O/c15-11-7-6-10(8-12(11)16)13(18-19-14(17)20)9-4-2-1-3-5-9/h1-8H,(H3,17,19,20)
InChIKeyRHPDZIURFDSKAN-UHFFFAOYSA-N
XLogP3.41
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.41
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

[(E)-1-(3,4-dichlorophenyl)ethylideneamino]urea
CID 5495611
[[(4-benzoylphenyl)-phenylmethylidene]amino]thiourea
CID 78165247
N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide
CID 4192624
[[phenyl(32-tricyclo[22.8.0.025,30]dotriaconta-1(24),25,27,29,31-pentaenyl)methylidene]amino]urea
CID 54426541
aminothiourea;(4-benzoylphenyl)-phenylmethanone;[[(4-benzoylphenyl)-phenylmethylidene]amino]thiourea
CID 158596091
2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 3429251
[(Z)-[(2-amino-5-nitrophenyl)-phenylmethylidene]amino]urea
CID 6534403
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylacetamide
CID 5410906
[(E)-(3,3-dichloro-1-phenylprop-2-enylidene)amino]urea
CID 12677235
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea
CID 125466393
(2R)-N-(benzhydrylideneamino)-2-chloropropanamide
CID 1488884

Frequently Asked Questions

What is the IUPAC name of [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea?
The IUPAC name of [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea (CID 3249905) is [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea.
What is the SMILES notation for [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea?
The canonical SMILES for [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea is NC(=O)NN=C(c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea?
The InChIKey is RHPDZIURFDSKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c15-11-7-6-10(8-12(11)16)13(18-19-14(17)20)9-4-2-1-3-5-9/h1-8H,(H3,17,19,20).
What are the key properties of [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea?
[[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea has a molecular weight of 308.17 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea is sourced from PubChem (CID 3249905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).