1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea

C18H13ClN4O4 — CID 1379769

IUPAC1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea
SMILESO=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Nc1ccccc1
InChIInChI=1S/C18H13ClN4O4/c19-16-10-13(23(25)26)6-8-15(16)17-9-7-14(27-17)11-20-22-18(24)21-12-4-2-1-3-5-12/h1-11H,(H2,21,22,24)
InChIKeySCJNOEXFJKHDLX-UHFFFAOYSA-N
MW384.78 g/mol
LogP4.66
Rot. Bonds5

About 1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea

1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea (PubChem CID 1379769) has the molecular formula C18H13ClN4O4 and a molecular weight of 384.78 g/mol. Its IUPAC name is 1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea
PubChem CID1379769
Molecular FormulaC18H13ClN4O4
Molecular Weight384.78 g/mol
Exact Mass384.06
IUPAC Name1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea
SMILESO=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Nc1ccccc1
InChIInChI=1S/C18H13ClN4O4/c19-16-10-13(23(25)26)6-8-15(16)17-9-7-14(27-17)11-20-22-18(24)21-12-4-2-1-3-5-12/h1-11H,(H2,21,22,24)
InChIKeySCJNOEXFJKHDLX-UHFFFAOYSA-N
XLogP4.66
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.78
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7368852
N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 6882170
3-acetamido-N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 4316328
N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-cyanoacetamide
CID 958818
3-chloro-N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 7640468
3-chloro-N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 7227483
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 6077231
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide
CID 6058975
2-anilino-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 5443599
4-chloro-3-[5-[(E)-(phenylcarbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 172958492
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 6009233
(2R)-N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-(2-methylphenyl)-2-phenylpropanamide
CID 26984922

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea?
The IUPAC name of 1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea (CID 1379769) is 1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea is O=C(NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Nc1ccccc1.
What is the InChIKey of 1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea?
The InChIKey is SCJNOEXFJKHDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O4/c19-16-10-13(23(25)26)6-8-15(16)17-9-7-14(27-17)11-20-22-18(24)21-12-4-2-1-3-5-12/h1-11H,(H2,21,22,24).
What are the key properties of 1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea?
1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea has a molecular weight of 384.78 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea is sourced from PubChem (CID 1379769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).