N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide

C13H11BrN2O2 — CID 5340021

IUPACN-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccco1)c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN2O2/c1-9(10-4-6-11(14)7-5-10)15-16-13(17)12-3-2-8-18-12/h2-8H,1H3,(H,16,17)/b15-9+
InChIKeyMBVVAQWLMFGGBU-OQLLNIDSSA-N
MW307.15 g/mol
LogP3.20
Rot. Bonds3

About N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide

N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide (PubChem CID 5340021) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
PubChem CID5340021
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC NameN-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccco1)c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN2O2/c1-9(10-4-6-11(14)7-5-10)15-16-13(17)12-3-2-8-18-12/h2-8H,1H3,(H,16,17)/b15-9+
InChIKeyMBVVAQWLMFGGBU-OQLLNIDSSA-N
XLogP3.20
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
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-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide
CID 6272309
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide
CID 760185
N-[(E)-1-naphthalen-2-ylethylideneamino]furan-2-carboxamide
CID 7460942
N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide
CID 6105123
N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6949118
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896
N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 840435
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 760187
N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide
CID 6009222

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide (CID 5340021) is N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide is C/C(=N\NC(=O)c1ccco1)c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide?
The InChIKey is MBVVAQWLMFGGBU-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-9(10-4-6-11(14)7-5-10)15-16-13(17)12-3-2-8-18-12/h2-8H,1H3,(H,16,17)/b15-9+.
What are the key properties of N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide?
N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 5340021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).