N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide

C14H13BrN2O2 — CID 6272309

IUPACN-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide
SMILESCC/C(=N/NC(=O)c1ccco1)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O2/c1-2-12(10-5-7-11(15)8-6-10)16-17-14(18)13-4-3-9-19-13/h3-9H,2H2,1H3,(H,17,18)/b16-12-
InChIKeyIMJLLLIBIRIWCQ-VBKFSLOCSA-N
MW321.17 g/mol
LogP3.59
Rot. Bonds4

About N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide

N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide (PubChem CID 6272309) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide
PubChem CID6272309
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide
SMILESCC/C(=N/NC(=O)c1ccco1)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O2/c1-2-12(10-5-7-11(15)8-6-10)16-17-14(18)13-4-3-9-19-13/h3-9H,2H2,1H3,(H,17,18)/b16-12-
InChIKeyIMJLLLIBIRIWCQ-VBKFSLOCSA-N
XLogP3.59
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.59
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-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021
N-(1-phenylpentylideneamino)furan-2-carboxamide
CID 4993294
N'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide
CID 5334242
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
N-(diaminomethylideneamino)furan-2-carboxamide
CID 15761647
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide
CID 6105123
N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide
CID 2919180
5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 4648878
N-[(E)-1-(5-methylthiophen-2-yl)butylideneamino]furan-2-carboxamide
CID 6005254

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide (CID 6272309) is N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide is CC/C(=N/NC(=O)c1ccco1)c1ccc(Br)cc1.
What is the InChIKey of N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide?
The InChIKey is IMJLLLIBIRIWCQ-VBKFSLOCSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-2-12(10-5-7-11(15)8-6-10)16-17-14(18)13-4-3-9-19-13/h3-9H,2H2,1H3,(H,17,18)/b16-12-.
What are the key properties of N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide?
N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-bromophenyl)propylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6272309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).