N-[(4-fluorophenyl)methyl]-4-oxo-4-[2-(5-propoxy-1H-indole-2-carbonyl)hydrazinyl]butanamide

C23H25FN4O4 — CID 51362542

IUPACN-[(4-fluorophenyl)methyl]-4-oxo-4-[2-(5-propoxy-1H-indole-2-carbonyl)hydrazinyl]butanamide
SMILESCCCOc1ccc2[nH]c(C(=O)NNC(=O)CCC(=O)NCc3ccc(F)cc3)cc2c1
InChIInChI=1S/C23H25FN4O4/c1-2-11-32-18-7-8-19-16(12-18)13-20(26-19)23(31)28-27-22(30)10-9-21(29)25-14-15-3-5-17(24)6-4-15/h3-8,12-13,26H,2,9-11,14H2,1H3,(H,25,29)(H,27,30)(H,28,31)
InChIKeyYFFYPUMJJSLWNR-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.95
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-4-oxo-4-[2-(5-propoxy-1H-indole-2-carbonyl)hydrazinyl]butanamide

N-[(4-fluorophenyl)methyl]-4-oxo-4-[2-(5-propoxy-1H-indole-2-carbonyl)hydrazinyl]butanamide (PubChem CID 51362542) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-oxo-4-[2-(5-propoxy-1H-indole-2-carbonyl)hydrazinyl]butanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-oxo-4-[2-(5-propoxy-1H-indole-2-carbonyl)hydrazinyl]butanamide
PubChem CID51362542
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC NameN-[(4-fluorophenyl)methyl]-4-oxo-4-[2-(5-propoxy-1H-indole-2-carbonyl)hydrazinyl]butanamide
SMILESCCCOc1ccc2[nH]c(C(=O)NNC(=O)CCC(=O)NCc3ccc(F)cc3)cc2c1
InChIInChI=1S/C23H25FN4O4/c1-2-11-32-18-7-8-19-16(12-18)13-20(26-19)23(31)28-27-22(30)10-9-21(29)25-14-15-3-5-17(24)6-4-15/h3-8,12-13,26H,2,9-11,14H2,1H3,(H,25,29)(H,27,30)(H,28,31)
InChIKeyYFFYPUMJJSLWNR-UHFFFAOYSA-N
XLogP2.95
TPSA112.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 21014406
N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide
CID 134034269
5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 21014440
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide
CID 46536237
5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
CID 46433700
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163
4-oxo-4-[(4-pentoxyphenyl)methylamino]butanoic acid
CID 9151485
1-(4-butoxy-2-methylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 60554481
4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide
CID 51362206
N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide
CID 83289806

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-oxo-4-[2-(5-propoxy-1H-indole-2-carbonyl)hydrazinyl]butanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-oxo-4-[2-(5-propoxy-1H-indole-2-carbonyl)hydrazinyl]butanamide (CID 51362542) is N-[(4-fluorophenyl)methyl]-4-oxo-4-[2-(5-propoxy-1H-indole-2-carbonyl)hydrazinyl]butanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-oxo-4-[2-(5-propoxy-1H-indole-2-carbonyl)hydrazinyl]butanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-oxo-4-[2-(5-propoxy-1H-indole-2-carbonyl)hydrazinyl]butanamide is CCCOc1ccc2[nH]c(C(=O)NNC(=O)CCC(=O)NCc3ccc(F)cc3)cc2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-oxo-4-[2-(5-propoxy-1H-indole-2-carbonyl)hydrazinyl]butanamide?
The InChIKey is YFFYPUMJJSLWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c1-2-11-32-18-7-8-19-16(12-18)13-20(26-19)23(31)28-27-22(30)10-9-21(29)25-14-15-3-5-17(24)6-4-15/h3-8,12-13,26H,2,9-11,14H2,1H3,(H,25,29)(H,27,30)(H,28,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-oxo-4-[2-(5-propoxy-1H-indole-2-carbonyl)hydrazinyl]butanamide?
N-[(4-fluorophenyl)methyl]-4-oxo-4-[2-(5-propoxy-1H-indole-2-carbonyl)hydrazinyl]butanamide has a molecular weight of 440.48 g/mol, XLogP of 2.95, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-oxo-4-[2-(5-propoxy-1H-indole-2-carbonyl)hydrazinyl]butanamide is sourced from PubChem (CID 51362542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).