5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide

C14H12BrClN2O2 — CID 5334242

IUPAC5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide
SMILESCC/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12BrClN2O2/c1-2-11(9-3-5-10(16)6-4-9)17-18-14(19)12-7-8-13(15)20-12/h3-8H,2H2,1H3,(H,18,19)/b17-11+
InChIKeyUPWQMMRMSJFMEZ-GZTJUZNOSA-N
MW355.62 g/mol
LogP4.24
Rot. Bonds4

About 5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide

5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide (PubChem CID 5334242) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide
PubChem CID5334242
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide
SMILESCC/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12BrClN2O2/c1-2-11(9-3-5-10(16)6-4-9)17-18-14(19)12-7-8-13(15)20-12/h3-8H,2H2,1H3,(H,18,19)/b17-11+
InChIKeyUPWQMMRMSJFMEZ-GZTJUZNOSA-N
XLogP4.24
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.24
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

5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6027501
N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 6011612
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide
CID 3679714
2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120
2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6390102
N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide
CID 6272309
5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
CID 16603694
(5-bromofuran-2-yl)-(4-chlorophenyl)methanone
CID 43462859
N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide
CID 6029977
4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135673772
5-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]furan-2-carboxamide
CID 135685001

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide (CID 5334242) is 5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide is CC/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide?
The InChIKey is UPWQMMRMSJFMEZ-GZTJUZNOSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-2-11(9-3-5-10(16)6-4-9)17-18-14(19)12-7-8-13(15)20-12/h3-8H,2H2,1H3,(H,18,19)/b17-11+.
What are the key properties of 5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide?
5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide has a molecular weight of 355.62 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide is sourced from PubChem (CID 5334242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).