N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide

C18H16FN3O3 — CID 134034269

IUPACN'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc3cc(F)ccc3[nH]2)cc1
InChIInChI=1S/C18H16FN3O3/c1-2-25-14-6-3-11(4-7-14)17(23)21-22-18(24)16-10-12-9-13(19)5-8-15(12)20-16/h3-10,20H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyPNZXBUDPJFVJBW-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.78
Rot. Bonds4

About N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide

N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide (PubChem CID 134034269) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide
PubChem CID134034269
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc3cc(F)ccc3[nH]2)cc1
InChIInChI=1S/C18H16FN3O3/c1-2-25-14-6-3-11(4-7-14)17(23)21-22-18(24)16-10-12-9-13(19)5-8-15(12)20-16/h3-10,20H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyPNZXBUDPJFVJBW-UHFFFAOYSA-N
XLogP2.78
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]benzamide
CID 46334542
5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
CID 46433700
N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207170
N'-(4-ethoxybenzoyl)-2,4-difluorobenzohydrazide
CID 8915144
N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide
CID 30485626
5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide
CID 46556890
ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515778
ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate
CID 37254903
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46557885
N-[(4-fluorophenyl)methyl]-4-oxo-4-[2-(5-propoxy-1H-indole-2-carbonyl)hydrazinyl]butanamide
CID 51362542
3-(5-fluoro-1H-indol-2-yl)-3-oxopropanoic acid
CID 170886871

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide (CID 134034269) is N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2cc3cc(F)ccc3[nH]2)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide?
The InChIKey is PNZXBUDPJFVJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-2-25-14-6-3-11(4-7-14)17(23)21-22-18(24)16-10-12-9-13(19)5-8-15(12)20-16/h3-10,20H,2H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide?
N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide has a molecular weight of 341.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide is sourced from PubChem (CID 134034269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).