N-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide

C24H22ClN3O4 — CID 17132432

IUPACN-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cccc(Cl)c1OCc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)o1
InChIInChI=1S/C24H22ClN3O4/c1-16-4-2-5-21(25)23(16)31-15-20-12-11-19(32-20)14-26-27-24(30)17-7-9-18(10-8-17)28-13-3-6-22(28)29/h2,4-5,7-12,14H,3,6,13,15H2,1H3,(H,27,30)/b26-14+
InChIKeyJCLAWHJWAVXAFE-VULFUBBASA-N
MW451.91 g/mol
LogP4.71
Rot. Bonds7

About N-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 17132432) has the molecular formula C24H22ClN3O4 and a molecular weight of 451.91 g/mol. Its IUPAC name is N-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID17132432
Molecular FormulaC24H22ClN3O4
Molecular Weight451.91 g/mol
Exact Mass451.13
IUPAC NameN-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cccc(Cl)c1OCc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)o1
InChIInChI=1S/C24H22ClN3O4/c1-16-4-2-5-21(25)23(16)31-15-20-12-11-19(32-20)14-26-27-24(30)17-7-9-18(10-8-17)28-13-3-6-22(28)29/h2,4-5,7-12,14H,3,6,13,15H2,1H3,(H,27,30)/b26-14+
InChIKeyJCLAWHJWAVXAFE-VULFUBBASA-N
XLogP4.71
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 17132428
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 7479792
N-[(E)-(3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 6898294
N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9470070
N-[(Z)-(3-bromophenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 5440401
3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide
CID 165351483
N-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 714311
(E)-3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557344
4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide
CID 790502
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8883095
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-[(E)-(4-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 6894458

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 17132432) is N-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide is Cc1cccc(Cl)c1OCc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)o1.
What is the InChIKey of N-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is JCLAWHJWAVXAFE-VULFUBBASA-N. The full InChI is InChI=1S/C24H22ClN3O4/c1-16-4-2-5-21(25)23(16)31-15-20-12-11-19(32-20)14-26-27-24(30)17-7-9-18(10-8-17)28-13-3-6-22(28)29/h2,4-5,7-12,14H,3,6,13,15H2,1H3,(H,27,30)/b26-14+.
What are the key properties of N-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 451.91 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 17132432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).