N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide

C20H17BrN2O3 — CID 126375359

IUPACN-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)o1
InChIInChI=1S/C20H17BrN2O3/c1-14-5-10-19(26-14)20(24)23-22-12-16-3-2-4-18(11-16)25-13-15-6-8-17(21)9-7-15/h2-12H,13H2,1H3,(H,23,24)/b22-12-
InChIKeyARABPLNVDLKICV-UUYOSTAYSA-N
MW413.27 g/mol
LogP4.69
Rot. Bonds6

About N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide

N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide (PubChem CID 126375359) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide
PubChem CID126375359
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC NameN-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)o1
InChIInChI=1S/C20H17BrN2O3/c1-14-5-10-19(26-14)20(24)23-22-12-16-3-2-4-18(11-16)25-13-15-6-8-17(21)9-7-15/h2-12H,13H2,1H3,(H,23,24)/b22-12-
InChIKeyARABPLNVDLKICV-UUYOSTAYSA-N
XLogP4.69
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
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

N-[(E)-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide
CID 21370338
5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1219241
N-[(E)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-5-methylfuran-2-carboxamide
CID 21370349
N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 963063
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 6294964
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143842
4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3685682
2-(4-bromophenyl)-N-[(Z)-[3-[(4-iodophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 98050626
4-[(4-bromophenyl)methoxy]-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 124543069
N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 4105460
2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21370999
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 90643398

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide (CID 126375359) is N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)o1.
What is the InChIKey of N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide?
The InChIKey is ARABPLNVDLKICV-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c1-14-5-10-19(26-14)20(24)23-22-12-16-3-2-4-18(11-16)25-13-15-6-8-17(21)9-7-15/h2-12H,13H2,1H3,(H,23,24)/b22-12-.
What are the key properties of N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide?
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide has a molecular weight of 413.27 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 126375359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).