2-[(3-bromophenyl)methylsulfanyl]-N-[(2,4-dichlorophenyl)methylideneamino]acetamide

C16H13BrCl2N2OS — CID 2261299

IUPAC2-[(3-bromophenyl)methylsulfanyl]-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(CSCc1cccc(Br)c1)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13BrCl2N2OS/c17-13-3-1-2-11(6-13)9-23-10-16(22)21-20-8-12-4-5-14(18)7-15(12)19/h1-8H,9-10H2,(H,21,22)
InChIKeyDYQVNYLSQOWSDO-UHFFFAOYSA-N
MW432.17 g/mol
LogP5.14
Rot. Bonds6

About 2-[(3-bromophenyl)methylsulfanyl]-N-[(2,4-dichlorophenyl)methylideneamino]acetamide

2-[(3-bromophenyl)methylsulfanyl]-N-[(2,4-dichlorophenyl)methylideneamino]acetamide (PubChem CID 2261299) has the molecular formula C16H13BrCl2N2OS and a molecular weight of 432.17 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylsulfanyl]-N-[(2,4-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylsulfanyl]-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
PubChem CID2261299
Molecular FormulaC16H13BrCl2N2OS
Molecular Weight432.17 g/mol
Exact Mass429.93
IUPAC Name2-[(3-bromophenyl)methylsulfanyl]-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(CSCc1cccc(Br)c1)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13BrCl2N2OS/c17-13-3-1-2-11(6-13)9-23-10-16(22)21-20-8-12-4-5-14(18)7-15(12)19/h1-8H,9-10H2,(H,21,22)
InChIKeyDYQVNYLSQOWSDO-UHFFFAOYSA-N
XLogP5.14
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.17
LogP ≤ 55.14
H-Bond Donors ≤ 51
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

2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 137077950
2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 98060719
N-[(Z)-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 92850684
N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 3639982
2-[(3-bromophenyl)methylsulfanyl]-N-[(3-phenoxyphenyl)methylideneamino]acetamide
CID 2261301
2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 95989152
2-[(3-bromophenyl)methylsulfanyl]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 2261303
2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]acetamide
CID 126003341
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
N-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 3306494
2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]acetamide
CID 6871697
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 3717247

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]-N-[(2,4-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]-N-[(2,4-dichlorophenyl)methylideneamino]acetamide (CID 2261299) is 2-[(3-bromophenyl)methylsulfanyl]-N-[(2,4-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methylsulfanyl]-N-[(2,4-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(3-bromophenyl)methylsulfanyl]-N-[(2,4-dichlorophenyl)methylideneamino]acetamide is O=C(CSCc1cccc(Br)c1)NN=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(3-bromophenyl)methylsulfanyl]-N-[(2,4-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is DYQVNYLSQOWSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2N2OS/c17-13-3-1-2-11(6-13)9-23-10-16(22)21-20-8-12-4-5-14(18)7-15(12)19/h1-8H,9-10H2,(H,21,22).
What are the key properties of 2-[(3-bromophenyl)methylsulfanyl]-N-[(2,4-dichlorophenyl)methylideneamino]acetamide?
2-[(3-bromophenyl)methylsulfanyl]-N-[(2,4-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 432.17 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylsulfanyl]-N-[(2,4-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 2261299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).