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

C19H20ClFN2O4 — CID 55333896

IUPAC3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(F)cc2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C19H20ClFN2O4/c1-11(2)10-27-17-15(20)8-13(9-16(17)26-3)19(25)23-22-18(24)12-4-6-14(21)7-5-12/h4-9,11H,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDRHVHMFTXVTXJT-UHFFFAOYSA-N
MW394.83 g/mol
LogP3.60
Rot. Bonds6

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

3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide (PubChem CID 55333896) has the molecular formula C19H20ClFN2O4 and a molecular weight of 394.83 g/mol. Its IUPAC name is 3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
PubChem CID55333896
Molecular FormulaC19H20ClFN2O4
Molecular Weight394.83 g/mol
Exact Mass394.11
IUPAC Name3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(F)cc2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C19H20ClFN2O4/c1-11(2)10-27-17-15(20)8-13(9-16(17)26-3)19(25)23-22-18(24)12-4-6-14(21)7-5-12/h4-9,11H,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDRHVHMFTXVTXJT-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'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 26799191
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 41278695
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 9081433
2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000
3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893
3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 120653783
2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid
CID 119218308
3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide
CID 24645296
3-chloro-N-[2-(4-fluorophenyl)ethyl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 18268789
3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide
CID 78767621
5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
CID 119234484

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide?
The IUPAC name of 3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide (CID 55333896) is 3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for 3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for 3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide is COc1cc(C(=O)NNC(=O)c2ccc(F)cc2)cc(Cl)c1OCC(C)C.
What is the InChIKey of 3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide?
The InChIKey is DRHVHMFTXVTXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O4/c1-11(2)10-27-17-15(20)8-13(9-16(17)26-3)19(25)23-22-18(24)12-4-6-14(21)7-5-12/h4-9,11H,10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide?
3-chloro-N'-(4-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'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 55333896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).