1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea

C14H11ClN4O3 — CID 10543618

IUPAC1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea
SMILESO=C(N/N=C/c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11ClN4O3/c15-11-3-1-10(2-4-11)9-16-18-14(20)17-12-5-7-13(8-6-12)19(21)22/h1-9H,(H2,17,18,20)/b16-9+
InChIKeyVFHGGCYLRGKBBO-CXUHLZMHSA-N
MW318.72 g/mol
LogP3.40
Rot. Bonds4

About 1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea

1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea (PubChem CID 10543618) has the molecular formula C14H11ClN4O3 and a molecular weight of 318.72 g/mol. Its IUPAC name is 1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea
PubChem CID10543618
Molecular FormulaC14H11ClN4O3
Molecular Weight318.72 g/mol
Exact Mass318.05
IUPAC Name1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea
SMILESO=C(N/N=C/c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11ClN4O3/c15-11-3-1-10(2-4-11)9-16-18-14(20)17-12-5-7-13(8-6-12)19(21)22/h1-9H,(H2,17,18,20)/b16-9+
InChIKeyVFHGGCYLRGKBBO-CXUHLZMHSA-N
XLogP3.40
TPSA96.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide
CID 2293023
2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 5392445
[(E)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 5338215
[(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 5406979
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
3-[[(E)-(4-nitrophenyl)methylideneamino]carbamoylamino]benzoic acid
CID 10426618
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4091193
1-(4-chlorophenyl)-3-[(Z)-(4-ethylphenyl)methylideneamino]urea
CID 110538497
1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea
CID 19168555
N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4187128
N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
CID 19661491
N-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide
CID 6089933

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea?
The IUPAC name of 1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea (CID 10543618) is 1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea is O=C(N/N=C/c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea?
The InChIKey is VFHGGCYLRGKBBO-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H11ClN4O3/c15-11-3-1-10(2-4-11)9-16-18-14(20)17-12-5-7-13(8-6-12)19(21)22/h1-9H,(H2,17,18,20)/b16-9+.
What are the key properties of 1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea?
1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea has a molecular weight of 318.72 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea is sourced from PubChem (CID 10543618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).