3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide

C16H14BrClN2O — CID 4854669

IUPAC3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide
SMILESC/C(CC(=O)Nc1ccc(Cl)cc1)=N\c1ccc(Br)cc1
InChIInChI=1S/C16H14BrClN2O/c1-11(19-14-6-2-12(17)3-7-14)10-16(21)20-15-8-4-13(18)5-9-15/h2-9H,10H2,1H3,(H,20,21)/b19-11+
InChIKeyOXTXRQYDSXUPJF-YBFXNURJSA-N
MW365.66 g/mol
LogP5.22
Rot. Bonds4

About 3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide

3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide (PubChem CID 4854669) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is 3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide
PubChem CID4854669
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide
SMILESC/C(CC(=O)Nc1ccc(Cl)cc1)=N\c1ccc(Br)cc1
InChIInChI=1S/C16H14BrClN2O/c1-11(19-14-6-2-12(17)3-7-14)10-16(21)20-15-8-4-13(18)5-9-15/h2-9H,10H2,1H3,(H,20,21)/b19-11+
InChIKeyOXTXRQYDSXUPJF-YBFXNURJSA-N
XLogP5.22
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.66
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]-4-chlorobenzamide
CID 3481558
(3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide
CID 6091907
N-(4-bromophenyl)-3-(4-chloroanilino)propanamide
CID 109038187
N-(4-bromophenyl)-3-methylbut-3-enamide
CID 68925920
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887
N-[4-(4-bromophenoxy)phenyl]-2-(4-chlorophenyl)acetamide
CID 4575386
(E)-3-(4-bromophenyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9417172
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
N'-(4-bromophenyl)propanediamide
CID 15154636
(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide
CID 5371621
N-[(E)-[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
CID 6085415
N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide
CID 108955491

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide?
The IUPAC name of 3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide (CID 4854669) is 3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide.
What is the SMILES notation for 3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide?
The canonical SMILES for 3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide is C/C(CC(=O)Nc1ccc(Cl)cc1)=N\c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide?
The InChIKey is OXTXRQYDSXUPJF-YBFXNURJSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c1-11(19-14-6-2-12(17)3-7-14)10-16(21)20-15-8-4-13(18)5-9-15/h2-9H,10H2,1H3,(H,20,21)/b19-11+.
What are the key properties of 3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide?
3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide has a molecular weight of 365.66 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)imino-N-(4-chlorophenyl)butanamide is sourced from PubChem (CID 4854669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).