N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide

C17H17FN2O3 — CID 40606275

IUPACN'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O3/c1-11(2)23-15-9-5-13(6-10-15)17(22)20-19-16(21)12-3-7-14(18)8-4-12/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyFTQKJQKZTCJCLT-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.69
Rot. Bonds4

About N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide

N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide (PubChem CID 40606275) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
PubChem CID40606275
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O3/c1-11(2)23-15-9-5-13(6-10-15)17(22)20-19-16(21)12-3-7-14(18)8-4-12/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyFTQKJQKZTCJCLT-UHFFFAOYSA-N
XLogP2.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
CID 959964
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 137150543
1-propan-2-yl-3-[(4-propan-2-yloxybenzoyl)amino]thiourea
CID 7978085
N'-butanoyl-4-propan-2-yloxybenzohydrazide
CID 17340325
3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3934367
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide (CID 40606275) is N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide is CC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide?
The InChIKey is FTQKJQKZTCJCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-11(2)23-15-9-5-13(6-10-15)17(22)20-19-16(21)12-3-7-14(18)8-4-12/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide?
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide has a molecular weight of 316.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 40606275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).