N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloro-4-fluoroanilino)acetamide

C15H12BrClFN3O — CID 86575735

IUPACN-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloro-4-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)c(Cl)c1)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C15H12BrClFN3O/c16-11-3-1-2-10(6-11)8-20-21-15(22)9-19-12-4-5-14(18)13(17)7-12/h1-8,19H,9H2,(H,21,22)/b20-8+
InChIKeyYWOIDFQLBMHCKY-DNTJNYDQSA-N
MW384.64 g/mol
LogP3.80
Rot. Bonds5

About N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloro-4-fluoroanilino)acetamide

N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloro-4-fluoroanilino)acetamide (PubChem CID 86575735) has the molecular formula C15H12BrClFN3O and a molecular weight of 384.64 g/mol. Its IUPAC name is N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloro-4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloro-4-fluoroanilino)acetamide
PubChem CID86575735
Molecular FormulaC15H12BrClFN3O
Molecular Weight384.64 g/mol
Exact Mass382.98
IUPAC NameN-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloro-4-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)c(Cl)c1)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C15H12BrClFN3O/c16-11-3-1-2-10(6-11)8-20-21-15(22)9-19-12-4-5-14(18)13(17)7-12/h1-8,19H,9H2,(H,21,22)/b20-8+
InChIKeyYWOIDFQLBMHCKY-DNTJNYDQSA-N
XLogP3.80
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.64
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloro-4-fluoroanilino)acetamide?
The IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloro-4-fluoroanilino)acetamide (CID 86575735) is N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloro-4-fluoroanilino)acetamide.
What is the SMILES notation for N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloro-4-fluoroanilino)acetamide?
The canonical SMILES for N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloro-4-fluoroanilino)acetamide is O=C(CNc1ccc(F)c(Cl)c1)N/N=C/c1cccc(Br)c1.
What is the InChIKey of N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloro-4-fluoroanilino)acetamide?
The InChIKey is YWOIDFQLBMHCKY-DNTJNYDQSA-N. The full InChI is InChI=1S/C15H12BrClFN3O/c16-11-3-1-2-10(6-11)8-20-21-15(22)9-19-12-4-5-14(18)13(17)7-12/h1-8,19H,9H2,(H,21,22)/b20-8+.
What are the key properties of N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloro-4-fluoroanilino)acetamide?
N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloro-4-fluoroanilino)acetamide has a molecular weight of 384.64 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloro-4-fluoroanilino)acetamide is sourced from PubChem (CID 86575735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).