5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide

C16H10ClF2N3O2 — CID 59992565

IUPAC5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide
SMILESO=C(NNC(=O)c1c(F)cccc1F)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H10ClF2N3O2/c17-9-4-5-12-8(6-9)7-13(20-12)15(23)21-22-16(24)14-10(18)2-1-3-11(14)19/h1-7,20H,(H,21,23)(H,22,24)
InChIKeyJQSPNHIPTQVQDL-UHFFFAOYSA-N
MW349.72 g/mol
LogP3.17
Rot. Bonds2

About 5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide

5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide (PubChem CID 59992565) has the molecular formula C16H10ClF2N3O2 and a molecular weight of 349.72 g/mol. Its IUPAC name is 5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide
PubChem CID59992565
Molecular FormulaC16H10ClF2N3O2
Molecular Weight349.72 g/mol
Exact Mass349.04
IUPAC Name5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide
SMILESO=C(NNC(=O)c1c(F)cccc1F)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H10ClF2N3O2/c17-9-4-5-12-8(6-9)7-13(20-12)15(23)21-22-16(24)14-10(18)2-1-3-11(14)19/h1-7,20H,(H,21,23)(H,22,24)
InChIKeyJQSPNHIPTQVQDL-UHFFFAOYSA-N
XLogP3.17
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.72
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N'-(2,3-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992512
5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide
CID 10293735
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide
CID 11255709
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
N-[(5-chloro-1H-indole-2-carbonyl)amino]-N'-(2-fluorophenyl)methanimidamide;methanesulfonic acid
CID 87986666
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
N'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide
CID 39977758
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921201
5-chloro-1H-indole-2-carboxylate
CID 6933350
methyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]butanoate
CID 134034219
N'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55559724

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide?
The IUPAC name of 5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide (CID 59992565) is 5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide?
The canonical SMILES for 5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide is O=C(NNC(=O)c1c(F)cccc1F)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide?
The InChIKey is JQSPNHIPTQVQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2N3O2/c17-9-4-5-12-8(6-9)7-13(20-12)15(23)21-22-16(24)14-10(18)2-1-3-11(14)19/h1-7,20H,(H,21,23)(H,22,24).
What are the key properties of 5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide?
5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide has a molecular weight of 349.72 g/mol, XLogP of 3.17, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide is sourced from PubChem (CID 59992565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).