(E)-3-[4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]acetyl]phenyl]-N-hydroxyprop-2-enamide

C22H17ClN2O4 — CID 158513678

IUPAC(E)-3-[4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]acetyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(C(=O)C/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1)NO
InChIInChI=1S/C22H17ClN2O4/c23-18-3-1-2-17(12-18)21-10-9-19(29-21)13-24-14-20(26)16-7-4-15(5-8-16)6-11-22(27)25-28/h1-13,28H,14H2,(H,25,27)/b11-6+,24-13+
InChIKeyNHXWSBGRVRWWRQ-UAYRUZORSA-N
MW408.84 g/mol
LogP4.42
Rot. Bonds7

About (E)-3-[4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]acetyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]acetyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 158513678) has the molecular formula C22H17ClN2O4 and a molecular weight of 408.84 g/mol. Its IUPAC name is (E)-3-[4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]acetyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]acetyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID158513678
Molecular FormulaC22H17ClN2O4
Molecular Weight408.84 g/mol
Exact Mass408.09
IUPAC Name(E)-3-[4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]acetyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(C(=O)C/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1)NO
InChIInChI=1S/C22H17ClN2O4/c23-18-3-1-2-17(12-18)21-10-9-19(29-21)13-24-14-20(26)16-7-4-15(5-8-16)6-11-22(27)25-28/h1-13,28H,14H2,(H,25,27)/b11-6+,24-13+
InChIKeyNHXWSBGRVRWWRQ-UAYRUZORSA-N
XLogP4.42
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 123326584
(E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide
CID 157186787
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-hydroxyprop-2-enamide
CID 91678289
methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate
CID 69037771
(E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
CID 100828761
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 947541
(E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
CID 100828764
(E)-3-[5-[(E)-3-(3-chlorophenyl)-3-oxoprop-1-enyl]furan-2-yl]-N-hydroxyprop-2-enamide
CID 44561973
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060006
(E)-3-(4-chlorophenyl)-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]prop-2-enamide
CID 28677676
N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzenecarboximidamide
CID 135853148
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 3461046

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]acetyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]acetyl]phenyl]-N-hydroxyprop-2-enamide (CID 158513678) is (E)-3-[4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]acetyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]acetyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]acetyl]phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(C(=O)C/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1)NO.
What is the InChIKey of (E)-3-[4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]acetyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is NHXWSBGRVRWWRQ-UAYRUZORSA-N. The full InChI is InChI=1S/C22H17ClN2O4/c23-18-3-1-2-17(12-18)21-10-9-19(29-21)13-24-14-20(26)16-7-4-15(5-8-16)6-11-22(27)25-28/h1-13,28H,14H2,(H,25,27)/b11-6+,24-13+.
What are the key properties of (E)-3-[4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]acetyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]acetyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 408.84 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]acetyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 158513678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).