2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide

C15H13BrClN3O — CID 19617349

IUPAC2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide
SMILESO=C(CNc1cccc(Br)c1)N/N=C/c1cccc(Cl)c1
InChIInChI=1S/C15H13BrClN3O/c16-12-4-2-6-14(8-12)18-10-15(21)20-19-9-11-3-1-5-13(17)7-11/h1-9,18H,10H2,(H,20,21)/b19-9+
InChIKeyYKOVNHKBJBLVFY-DJKKODMXSA-N
MW366.65 g/mol
LogP3.66
Rot. Bonds5

About 2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide

2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide (PubChem CID 19617349) has the molecular formula C15H13BrClN3O and a molecular weight of 366.65 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide
PubChem CID19617349
Molecular FormulaC15H13BrClN3O
Molecular Weight366.65 g/mol
Exact Mass364.99
IUPAC Name2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide
SMILESO=C(CNc1cccc(Br)c1)N/N=C/c1cccc(Cl)c1
InChIInChI=1S/C15H13BrClN3O/c16-12-4-2-6-14(8-12)18-10-15(21)20-19-9-11-3-1-5-13(17)7-11/h1-9,18H,10H2,(H,20,21)/b19-9+
InChIKeyYKOVNHKBJBLVFY-DJKKODMXSA-N
XLogP3.66
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.65
LogP ≤ 53.66
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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Related Compounds

3-bromo-N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4316805
N-[(E)-(3-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 6902080
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
2-(2-chloroanilino)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
CID 5427729
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
2-(3-chloroanilino)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 5143452
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide
CID 6078696
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(3-chloroanilino)acetamide
CID 136697648
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
2-(3-bromoanilino)-N-(4-chlorophenyl)acetamide
CID 9080372
N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 5190370
2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide
CID 6415089

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide (CID 19617349) is 2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide is O=C(CNc1cccc(Br)c1)N/N=C/c1cccc(Cl)c1.
What is the InChIKey of 2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide?
The InChIKey is YKOVNHKBJBLVFY-DJKKODMXSA-N. The full InChI is InChI=1S/C15H13BrClN3O/c16-12-4-2-6-14(8-12)18-10-15(21)20-19-9-11-3-1-5-13(17)7-11/h1-9,18H,10H2,(H,20,21)/b19-9+.
What are the key properties of 2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide?
2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide has a molecular weight of 366.65 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 19617349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).