1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea

C14H11Cl2N3O — CID 125466393

IUPAC1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea
SMILESNC(=NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H11Cl2N3O/c15-11-7-6-10(8-12(11)16)18-14(20)19-13(17)9-4-2-1-3-5-9/h1-8H,(H3,17,18,19,20)
InChIKeySPGJAOMZNUZJDL-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.93
Rot. Bonds2

About 1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea

1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea (PubChem CID 125466393) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea
PubChem CID125466393
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea
SMILESNC(=NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H11Cl2N3O/c15-11-7-6-10(8-12(11)16)18-14(20)19-13(17)9-4-2-1-3-5-9/h1-8H,(H3,17,18,19,20)
InChIKeySPGJAOMZNUZJDL-UHFFFAOYSA-N
XLogP3.93
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dichloroanilino)-1-phenylbut-2-en-1-one
CID 867749
3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide
CID 29201519
1-(benzenecarbonothioylamino)-3-(3,4-dichlorophenyl)urea
CID 4198960
(2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide
CID 53274929
3-[(3,4-dichlorophenyl)carbamothioylamino]benzoic acid
CID 17381526
N-[(3,4-dichlorophenyl)carbamothioyl]-4-phenylbenzamide
CID 2209802
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297
3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 43105358
N-[2-[[amino(phenyl)methylidene]amino]-1-(3,4-dichlorophenyl)-2-oxoethyl]-3,5-dichlorobenzamide
CID 121264483
1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109054182
N-(3,4-dichlorophenyl)-4-hydrazinylbenzamide
CID 62235810

Frequently Asked Questions

What is the IUPAC name of 1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea (CID 125466393) is 1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea is NC(=NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea?
The InChIKey is SPGJAOMZNUZJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c15-11-7-6-10(8-12(11)16)18-14(20)19-13(17)9-4-2-1-3-5-9/h1-8H,(H3,17,18,19,20).
What are the key properties of 1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea?
1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea has a molecular weight of 308.17 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(phenyl)methylidene]-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 125466393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).