N'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide

C17H13ClFN3O3 — CID 39977758

IUPACN'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H13ClFN3O3/c1-25-15-5-2-10(18)8-12(15)16(23)21-22-17(24)14-7-9-6-11(19)3-4-13(9)20-14/h2-8,20H,1H3,(H,21,23)(H,22,24)
InChIKeyIJQTUHLEMWSYGW-UHFFFAOYSA-N
MW361.76 g/mol
LogP3.04
Rot. Bonds3

About N'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide

N'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide (PubChem CID 39977758) has the molecular formula C17H13ClFN3O3 and a molecular weight of 361.76 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide
PubChem CID39977758
Molecular FormulaC17H13ClFN3O3
Molecular Weight361.76 g/mol
Exact Mass361.06
IUPAC NameN'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H13ClFN3O3/c1-25-15-5-2-10(18)8-12(15)16(23)21-22-17(24)14-7-9-6-11(19)3-4-13(9)20-14/h2-8,20H,1H3,(H,21,23)(H,22,24)
InChIKeyIJQTUHLEMWSYGW-UHFFFAOYSA-N
XLogP3.04
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 53.04
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

5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-N'-(2,3-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992512
5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide
CID 46556890
N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide
CID 9085244
5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992565
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 78836860
5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-methoxybenzamide
CID 166667390
5-chloro-N'-(5-chloro-2-iodobenzoyl)-2-methoxybenzohydrazide
CID 39708070
5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide
CID 6894279

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide?
The IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide (CID 39977758) is N'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide.
What is the SMILES notation for N'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide?
The canonical SMILES for N'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of N'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide?
The InChIKey is IJQTUHLEMWSYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3/c1-25-15-5-2-10(18)8-12(15)16(23)21-22-17(24)14-7-9-6-11(19)3-4-13(9)20-14/h2-8,20H,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide?
N'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide has a molecular weight of 361.76 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide is sourced from PubChem (CID 39977758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).