N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide

C22H26F2N2O4 — CID 46547389

IUPACN'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CCc2ccc(F)c(F)c2)ccc1OCCC(C)C
InChIInChI=1S/C22H26F2N2O4/c1-14(2)10-11-30-19-8-6-16(13-20(19)29-3)22(28)26-25-21(27)9-5-15-4-7-17(23)18(24)12-15/h4,6-8,12-14H,5,9-11H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyQDRCVTZADGYGFY-UHFFFAOYSA-N
MW420.46 g/mol
LogP3.79
Rot. Bonds9

About N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide

N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide (PubChem CID 46547389) has the molecular formula C22H26F2N2O4 and a molecular weight of 420.46 g/mol. Its IUPAC name is N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
PubChem CID46547389
Molecular FormulaC22H26F2N2O4
Molecular Weight420.46 g/mol
Exact Mass420.19
IUPAC NameN'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CCc2ccc(F)c(F)c2)ccc1OCCC(C)C
InChIInChI=1S/C22H26F2N2O4/c1-14(2)10-11-30-19-8-6-16(13-20(19)29-3)22(28)26-25-21(27)9-5-15-4-7-17(23)18(24)12-15/h4,6-8,12-14H,5,9-11H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyQDRCVTZADGYGFY-UHFFFAOYSA-N
XLogP3.79
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-(3-methylbutoxy)-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
CID 24553723
3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 35694034
N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112790971
N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 1107941
1-(2-fluorophenyl)-3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]thiourea
CID 8788648
N-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 34558984
4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide
CID 30317919
N'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 26952142
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877
3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide
CID 7972010

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
The IUPAC name of N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide (CID 46547389) is N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide.
What is the SMILES notation for N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
The canonical SMILES for N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide is COc1cc(C(=O)NNC(=O)CCc2ccc(F)c(F)c2)ccc1OCCC(C)C.
What is the InChIKey of N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
The InChIKey is QDRCVTZADGYGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O4/c1-14(2)10-11-30-19-8-6-16(13-20(19)29-3)22(28)26-25-21(27)9-5-15-4-7-17(23)18(24)12-15/h4,6-8,12-14H,5,9-11H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide has a molecular weight of 420.46 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide is sourced from PubChem (CID 46547389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).