N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide

C26H24ClN3O5 — CID 2526872

IUPACN'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCOc1ccc2c(c1)c(CC(=O)NNC(=O)c1cc(C)oc1C)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3O5/c1-14-11-21(16(3)35-14)25(32)29-28-24(31)13-20-15(2)30(23-10-9-19(34-4)12-22(20)23)26(33)17-5-7-18(27)8-6-17/h5-12H,13H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyPXDNIKWMBYWDRB-UHFFFAOYSA-N
MW493.95 g/mol
LogP4.51
Rot. Bonds5

About N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 2526872) has the molecular formula C26H24ClN3O5 and a molecular weight of 493.95 g/mol. Its IUPAC name is N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID2526872
Molecular FormulaC26H24ClN3O5
Molecular Weight493.95 g/mol
Exact Mass493.14
IUPAC NameN'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCOc1ccc2c(c1)c(CC(=O)NNC(=O)c1cc(C)oc1C)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3O5/c1-14-11-21(16(3)35-14)25(32)29-28-24(31)13-20-15(2)30(23-10-9-19(34-4)12-22(20)23)26(33)17-5-7-18(27)8-6-17/h5-12H,13H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyPXDNIKWMBYWDRB-UHFFFAOYSA-N
XLogP4.51
TPSA102.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.95
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanehydrazide
CID 2476194
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethylcarbamic acid
CID 66813186
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methylsulfonylacetamide
CID 12658319
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(3-methoxypropyl)acetamide
CID 27556066
N-(4-acetamidobutyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 59342785
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 7935529
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 24825528
N-(4-acetamidophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 4090966
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclopentylacetamide
CID 1265009
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 6916018
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(4-chlorophenyl)sulfonylacetamide
CID 166450376
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide (CID 2526872) is N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide is COc1ccc2c(c1)c(CC(=O)NNC(=O)c1cc(C)oc1C)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is PXDNIKWMBYWDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O5/c1-14-11-21(16(3)35-14)25(32)29-28-24(31)13-20-15(2)30(23-10-9-19(34-4)12-22(20)23)26(33)17-5-7-18(27)8-6-17/h5-12H,13H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 493.95 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 2526872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).