2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide

C19H14BrCl2N3O2 — CID 126355492

IUPAC2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(CNc1ccc(Br)cc1)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C19H14BrCl2N3O2/c20-13-2-4-14(5-3-13)23-11-19(26)25-24-10-15-6-8-18(27-15)12-1-7-16(21)17(22)9-12/h1-10,23H,11H2,(H,25,26)/b24-10-
InChIKeyREEGNFQGVHMJHQ-VROXFSQNSA-N
MW467.15 g/mol
LogP5.58
Rot. Bonds6

About 2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide

2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 126355492) has the molecular formula C19H14BrCl2N3O2 and a molecular weight of 467.15 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID126355492
Molecular FormulaC19H14BrCl2N3O2
Molecular Weight467.15 g/mol
Exact Mass464.96
IUPAC Name2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(CNc1ccc(Br)cc1)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C19H14BrCl2N3O2/c20-13-2-4-14(5-3-13)23-11-19(26)25-24-10-15-6-8-18(27-15)12-1-7-16(21)17(22)9-12/h1-10,23H,11H2,(H,25,26)/b24-10-
InChIKeyREEGNFQGVHMJHQ-VROXFSQNSA-N
XLogP5.58
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.15
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromoanilino)-N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]acetamide
CID 126351374
N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide
CID 126088985
2-(4-bromoanilino)-N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126356740
2-(4-chloroanilino)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126371391
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide
CID 126182695
4-[5-[(Z)-[[2-(4-chloroanilino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126368332
2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]acetamide
CID 126088791
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylanilino)acetamide
CID 1118885
4-[5-[[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoic acid
CID 4060449
N'-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-(2-phenylethyl)propanediamide
CID 94837559
2-anilino-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 5443599
N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 50930000

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide (CID 126355492) is 2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide is O=C(CNc1ccc(Br)cc1)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is REEGNFQGVHMJHQ-VROXFSQNSA-N. The full InChI is InChI=1S/C19H14BrCl2N3O2/c20-13-2-4-14(5-3-13)23-11-19(26)25-24-10-15-6-8-18(27-15)12-1-7-16(21)17(22)9-12/h1-10,23H,11H2,(H,25,26)/b24-10-.
What are the key properties of 2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?
2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 467.15 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 126355492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).