N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide

C25H19ClN2O3 — CID 19657732

IUPACN-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
SMILESO=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H19ClN2O3/c26-20-10-6-9-19(15-20)23-14-13-21(31-23)16-27-28-25(29)22-11-4-5-12-24(22)30-17-18-7-2-1-3-8-18/h1-16H,17H2,(H,28,29)/b27-16+
InChIKeySKDUYXVVZLCHQD-JVWAILMASA-N
MW430.89 g/mol
LogP5.94
Rot. Bonds7

About N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide

N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide (PubChem CID 19657732) has the molecular formula C25H19ClN2O3 and a molecular weight of 430.89 g/mol. Its IUPAC name is N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
PubChem CID19657732
Molecular FormulaC25H19ClN2O3
Molecular Weight430.89 g/mol
Exact Mass430.11
IUPAC NameN-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
SMILESO=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C25H19ClN2O3/c26-20-10-6-9-19(15-20)23-14-13-21(31-23)16-27-28-25(29)22-11-4-5-12-24(22)30-17-18-7-2-1-3-8-18/h1-16H,17H2,(H,28,29)/b27-16+
InChIKeySKDUYXVVZLCHQD-JVWAILMASA-N
XLogP5.94
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.89
LogP ≤ 55.94
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)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657729
4-[5-[(E)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 19657844
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
CID 6873079
N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide
CID 94837531
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657477
N-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657640
4-[5-[(E)-[[2-[(2-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 19657386
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 3461046
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 947541
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2831961
ethyl 3-[5-[[(2-methoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 3598740

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide (CID 19657732) is N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide is O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide?
The InChIKey is SKDUYXVVZLCHQD-JVWAILMASA-N. The full InChI is InChI=1S/C25H19ClN2O3/c26-20-10-6-9-19(15-20)23-14-13-21(31-23)16-27-28-25(29)22-11-4-5-12-24(22)30-17-18-7-2-1-3-8-18/h1-16H,17H2,(H,28,29)/b27-16+.
What are the key properties of N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide?
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide has a molecular weight of 430.89 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 19657732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).