5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide

C22H24FN3O4 — CID 46556890

IUPAC5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cc3cc(F)ccc3[nH]2)ccc1OCCC(C)C
InChIInChI=1S/C22H24FN3O4/c1-13(2)8-9-30-19-7-4-14(12-20(19)29-3)21(27)25-26-22(28)18-11-15-10-16(23)5-6-17(15)24-18/h4-7,10-13,24H,8-9H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyHCLKDLXDUWJBCV-UHFFFAOYSA-N
MW413.45 g/mol
LogP3.82
Rot. Bonds7

About 5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide

5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide (PubChem CID 46556890) has the molecular formula C22H24FN3O4 and a molecular weight of 413.45 g/mol. Its IUPAC name is 5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide
PubChem CID46556890
Molecular FormulaC22H24FN3O4
Molecular Weight413.45 g/mol
Exact Mass413.18
IUPAC Name5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cc3cc(F)ccc3[nH]2)ccc1OCCC(C)C
InChIInChI=1S/C22H24FN3O4/c1-13(2)8-9-30-19-7-4-14(12-20(19)29-3)21(27)25-26-22(28)18-11-15-10-16(23)5-6-17(15)24-18/h4-7,10-13,24H,8-9H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyHCLKDLXDUWJBCV-UHFFFAOYSA-N
XLogP3.82
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 46414828
N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112790971
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877
4-fluoro-N-[[(4-fluorobenzoyl)amino]-[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 18839435
N'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide
CID 39977758
N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 46547389
1-(2-fluorophenyl)-3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]thiourea
CID 8788648
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-methylthiophene-2-carbohydrazide
CID 30882214
N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 72689752
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide?
The IUPAC name of 5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide (CID 46556890) is 5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide.
What is the SMILES notation for 5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide?
The canonical SMILES for 5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide is COc1cc(C(=O)NNC(=O)c2cc3cc(F)ccc3[nH]2)ccc1OCCC(C)C.
What is the InChIKey of 5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide?
The InChIKey is HCLKDLXDUWJBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4/c1-13(2)8-9-30-19-7-4-14(12-20(19)29-3)21(27)25-26-22(28)18-11-15-10-16(23)5-6-17(15)24-18/h4-7,10-13,24H,8-9H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide?
5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide has a molecular weight of 413.45 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide is sourced from PubChem (CID 46556890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).