3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide

C19H20ClFN2O4 — CID 26799191

IUPAC3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccccc2F)cc(Cl)c1OCC(C)C
InChIInChI=1S/C19H20ClFN2O4/c1-11(2)10-27-17-14(20)8-12(9-16(17)26-3)18(24)22-23-19(25)13-6-4-5-7-15(13)21/h4-9,11H,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBMCZQUYLQWADCK-UHFFFAOYSA-N
MW394.83 g/mol
LogP3.60
Rot. Bonds6

About 3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide

3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide (PubChem CID 26799191) has the molecular formula C19H20ClFN2O4 and a molecular weight of 394.83 g/mol. Its IUPAC name is 3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
PubChem CID26799191
Molecular FormulaC19H20ClFN2O4
Molecular Weight394.83 g/mol
Exact Mass394.11
IUPAC Name3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccccc2F)cc(Cl)c1OCC(C)C
InChIInChI=1S/C19H20ClFN2O4/c1-11(2)10-27-17-14(20)8-12(9-16(17)26-3)18(24)22-23-19(25)13-6-4-5-7-15(13)21/h4-9,11H,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyBMCZQUYLQWADCK-UHFFFAOYSA-N
XLogP3.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 53.60
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-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 55333896
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275877
3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
CID 35930780
3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 41278695
2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid
CID 119218308
2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 46624157
(3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone
CID 62502800
N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 9084627
5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
CID 119234484
N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
CID 60522037

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide?
The IUPAC name of 3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide (CID 26799191) is 3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for 3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for 3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide is COc1cc(C(=O)NNC(=O)c2ccccc2F)cc(Cl)c1OCC(C)C.
What is the InChIKey of 3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide?
The InChIKey is BMCZQUYLQWADCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O4/c1-11(2)10-27-17-14(20)8-12(9-16(17)26-3)18(24)22-23-19(25)13-6-4-5-7-15(13)21/h4-9,11H,10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide?
3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide has a molecular weight of 394.83 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 26799191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).