5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide

C19H15BrN2O3 — CID 1219241

IUPAC5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccc(Br)o1
InChIInChI=1S/C19H15BrN2O3/c20-18-10-9-17(25-18)19(23)22-21-12-15-7-4-8-16(11-15)24-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23)
InChIKeyYMIVUKFBGBRZQS-UHFFFAOYSA-N
MW399.24 g/mol
LogP4.39
Rot. Bonds6

About 5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide

5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 1219241) has the molecular formula C19H15BrN2O3 and a molecular weight of 399.24 g/mol. Its IUPAC name is 5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID1219241
Molecular FormulaC19H15BrN2O3
Molecular Weight399.24 g/mol
Exact Mass398.03
IUPAC Name5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccc(Br)o1
InChIInChI=1S/C19H15BrN2O3/c20-18-10-9-17(25-18)19(23)22-21-12-15-7-4-8-16(11-15)24-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23)
InChIKeyYMIVUKFBGBRZQS-UHFFFAOYSA-N
XLogP4.39
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 54.39
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-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-methylfuran-2-carboxamide
CID 126375359
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 950938
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
3,4,5-trihydroxy-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 1028250
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6893810
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944
N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 4128401
2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6107942

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide (CID 1219241) is 5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide is O=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is YMIVUKFBGBRZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O3/c20-18-10-9-17(25-18)19(23)22-21-12-15-7-4-8-16(11-15)24-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,23).
What are the key properties of 5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide?
5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 399.24 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 1219241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).