N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide

C13H11BrN2OS — CID 6088161

IUPACN-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C\c1cc(Br)cs1
InChIInChI=1S/C13H11BrN2OS/c14-11-7-12(18-9-11)8-15-16-13(17)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,16,17)/b15-8-
InChIKeyRQASJBNWTHCNGP-NVNXTCNLSA-N
MW323.22 g/mol
LogP3.20
Rot. Bonds4

About N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide

N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide (PubChem CID 6088161) has the molecular formula C13H11BrN2OS and a molecular weight of 323.22 g/mol. Its IUPAC name is N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide
PubChem CID6088161
Molecular FormulaC13H11BrN2OS
Molecular Weight323.22 g/mol
Exact Mass321.98
IUPAC NameN-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C\c1cc(Br)cs1
InChIInChI=1S/C13H11BrN2OS/c14-11-7-12(18-9-11)8-15-16-13(17)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,16,17)/b15-8-
InChIKeyRQASJBNWTHCNGP-NVNXTCNLSA-N
XLogP3.20
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.20
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

N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-pyridin-3-ylacetamide
CID 5398291
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 41271343
N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 42995414
[(4-bromothiophen-2-yl)methylideneamino]urea
CID 759069
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide
CID 5332613
N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide
CID 4556577
2-[(2E)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]benzoic acid
CID 45327660
N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 136749233
1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 44507406
N-[1-[(2Z)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide
CID 86771756
N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide
CID 42995239
2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide
CID 6091566

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide (CID 6088161) is N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C\c1cc(Br)cs1.
What is the InChIKey of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide?
The InChIKey is RQASJBNWTHCNGP-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H11BrN2OS/c14-11-7-12(18-9-11)8-15-16-13(17)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,16,17)/b15-8-.
What are the key properties of N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide?
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide has a molecular weight of 323.22 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 6088161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).