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

C14H11ClN4O3 — CID 19168555

IUPAC1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea
SMILESO=C(NN=Cc1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H11ClN4O3/c15-11-4-2-5-12(8-11)17-14(20)18-16-9-10-3-1-6-13(7-10)19(21)22/h1-9H,(H2,17,18,20)
InChIKeyKTORLCLRCMJRBB-UHFFFAOYSA-N
MW318.72 g/mol
LogP3.40
Rot. Bonds4

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

1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea (PubChem CID 19168555) has the molecular formula C14H11ClN4O3 and a molecular weight of 318.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea
PubChem CID19168555
Molecular FormulaC14H11ClN4O3
Molecular Weight318.72 g/mol
Exact Mass318.05
IUPAC Name1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea
SMILESO=C(NN=Cc1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H11ClN4O3/c15-11-4-2-5-12(8-11)17-14(20)18-16-9-10-3-1-6-13(7-10)19(21)22/h1-9H,(H2,17,18,20)
InChIKeyKTORLCLRCMJRBB-UHFFFAOYSA-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-(3-chlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 606165
3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline
CID 9076615
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 6435601
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5390803
N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5189069
2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea
CID 136781887
1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea
CID 10543618
1-(3-chlorophenyl)-3-[(Z)-(2,6-dichlorophenyl)methylideneamino]urea
CID 110536315
3-[[(E)-(4-nitrophenyl)methylideneamino]carbamoylamino]benzoic acid
CID 10426618
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea (CID 19168555) is 1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea is O=C(NN=Cc1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea?
The InChIKey is KTORLCLRCMJRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O3/c15-11-4-2-5-12(8-11)17-14(20)18-16-9-10-3-1-6-13(7-10)19(21)22/h1-9H,(H2,17,18,20).
What are the key properties of 1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea?
1-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]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-(3-chlorophenyl)-3-[(3-nitrophenyl)methylideneamino]urea is sourced from PubChem (CID 19168555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).