4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide

C19H15ClN2O3 — CID 75087446

IUPAC4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1ccco1)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClN2O3/c20-16-7-3-14(4-8-16)13-25-17-9-5-15(6-10-17)19(23)22-21-12-18-2-1-11-24-18/h1-12H,13H2,(H,22,23)
InChIKeyBUXYASWFANMBNQ-UHFFFAOYSA-N
MW354.79 g/mol
LogP4.28
Rot. Bonds6

About 4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide

4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide (PubChem CID 75087446) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide
PubChem CID75087446
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1ccco1)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClN2O3/c20-16-7-3-14(4-8-16)13-25-17-9-5-15(6-10-17)19(23)22-21-12-18-2-1-11-24-18/h1-12H,13H2,(H,22,23)
InChIKeyBUXYASWFANMBNQ-UHFFFAOYSA-N
XLogP4.28
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.28
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

3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 6877938
N-[(Z)-furan-2-ylmethylideneamino]-4-[(2-methoxyphenoxy)methyl]benzamide
CID 5430494
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
4-[(4-chlorophenyl)methoxy]-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 51061006
4-[(4-chlorophenoxy)methyl]-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 9408946
4-[(4-chlorophenoxy)methyl]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 42992148
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
CID 6163914
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 21379709
N-[(Z)-furan-2-ylmethylideneamino]-4-methoxybenzamide
CID 5372129
N-(furan-2-ylmethylideneamino)-4-(3-methylbutoxy)benzamide
CID 4927464

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide (CID 75087446) is 4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide is O=C(NN=Cc1ccco1)c1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide?
The InChIKey is BUXYASWFANMBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c20-16-7-3-14(4-8-16)13-25-17-9-5-15(6-10-17)19(23)22-21-12-18-2-1-11-24-18/h1-12H,13H2,(H,22,23).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide?
4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide has a molecular weight of 354.79 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide is sourced from PubChem (CID 75087446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).