2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide

C13H12BrN3O2 — CID 5404211

IUPAC2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
SMILESO=C(CNc1ccc(Br)cc1)N/N=C\c1ccco1
InChIInChI=1S/C13H12BrN3O2/c14-10-3-5-11(6-4-10)15-9-13(18)17-16-8-12-2-1-7-19-12/h1-8,15H,9H2,(H,17,18)/b16-8-
InChIKeySKBWWQTZINRGNQ-PXNMLYILSA-N
MW322.16 g/mol
LogP2.60
Rot. Bonds5

About 2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide

2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide (PubChem CID 5404211) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
PubChem CID5404211
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
SMILESO=C(CNc1ccc(Br)cc1)N/N=C\c1ccco1
InChIInChI=1S/C13H12BrN3O2/c14-10-3-5-11(6-4-10)15-9-13(18)17-16-8-12-2-1-7-19-12/h1-8,15H,9H2,(H,17,18)/b16-8-
InChIKeySKBWWQTZINRGNQ-PXNMLYILSA-N
XLogP2.60
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-anilino-N-(furan-2-ylmethylideneamino)acetamide
CID 3757182
2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404241
2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 6039229
2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5426354
N-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide
CID 5151377
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]dodecanamide
CID 5101537
2-(4-ethylphenyl)-N-(furan-2-ylmethylideneamino)acetamide
CID 165354335
2-(4-bromoanilino)-N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126356740
2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126355492

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide (CID 5404211) is 2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide is O=C(CNc1ccc(Br)cc1)N/N=C\c1ccco1.
What is the InChIKey of 2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The InChIKey is SKBWWQTZINRGNQ-PXNMLYILSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c14-10-3-5-11(6-4-10)15-9-13(18)17-16-8-12-2-1-7-19-12/h1-8,15H,9H2,(H,17,18)/b16-8-.
What are the key properties of 2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide has a molecular weight of 322.16 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 5404211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).