2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide

C19H14Cl2N4O4 — CID 126369010

IUPAC2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(CNc1ccc(Cl)cc1)N/N=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1
InChIInChI=1S/C19H14Cl2N4O4/c20-12-1-4-14(5-2-12)22-11-19(26)24-23-10-15-6-8-18(29-15)16-7-3-13(21)9-17(16)25(27)28/h1-10,22H,11H2,(H,24,26)/b23-10-
InChIKeyNQYWFZZBJRJWGP-RMORIDSASA-N
MW433.25 g/mol
LogP4.72
Rot. Bonds7

About 2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide

2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 126369010) has the molecular formula C19H14Cl2N4O4 and a molecular weight of 433.25 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID126369010
Molecular FormulaC19H14Cl2N4O4
Molecular Weight433.25 g/mol
Exact Mass432.04
IUPAC Name2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(CNc1ccc(Cl)cc1)N/N=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1
InChIInChI=1S/C19H14Cl2N4O4/c20-12-1-4-14(5-2-12)22-11-19(26)24-23-10-15-6-8-18(29-15)16-7-3-13(21)9-17(16)25(27)28/h1-10,22H,11H2,(H,24,26)/b23-10-
InChIKeyNQYWFZZBJRJWGP-RMORIDSASA-N
XLogP4.72
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.25
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(4-bromoanilino)-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126365345
2-(4-chloroanilino)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126371391
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 9073127
2-(4-bromoanilino)-N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126356740
N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351695
2-anilino-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 5443599
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylanilino)acetamide
CID 1118885
3-acetamido-N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 3917613
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[5-(2,4-dichloro-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126218733
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide
CID 126182695
2-(4-chloro-2-nitrophenoxy)-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180889
4-[5-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126368332

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide (CID 126369010) is 2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide is O=C(CNc1ccc(Cl)cc1)N/N=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1.
What is the InChIKey of 2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is NQYWFZZBJRJWGP-RMORIDSASA-N. The full InChI is InChI=1S/C19H14Cl2N4O4/c20-12-1-4-14(5-2-12)22-11-19(26)24-23-10-15-6-8-18(29-15)16-7-3-13(21)9-17(16)25(27)28/h1-10,22H,11H2,(H,24,26)/b23-10-.
What are the key properties of 2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 433.25 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 126369010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).