N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide

C16H13F3N2O3 — CID 2548088

IUPACN'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3N2O3/c1-24-13-8-4-11(5-9-13)15(23)21-20-14(22)10-2-6-12(7-3-10)16(17,18)19/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyDSCNPLPSOJGUBA-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.79
Rot. Bonds3

About N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide

N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide (PubChem CID 2548088) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
PubChem CID2548088
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC NameN'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3N2O3/c1-24-13-8-4-11(5-9-13)15(23)21-20-14(22)10-2-6-12(7-3-10)16(17,18)19/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyDSCNPLPSOJGUBA-UHFFFAOYSA-N
XLogP2.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.79
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

(4-methoxyphenyl) 4-(trifluoromethyl)benzoate
CID 532480
N-[2-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 113090468
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
(4-methoxyphenyl)methyl 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 16578596
N-(4-methoxyphenyl)-3-[[[4-(trifluoromethyl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 46652595
[4-(4-methoxybenzoyl)phenyl] 4-(trifluoromethyl)benzoate
CID 101231372
1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea
CID 5140613
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
tert-butyl N-[[4-(trifluoromethyl)benzoyl]amino]carbamate
CID 11449558
4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide
CID 60513577
4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55786703
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 2224741

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide (CID 2548088) is N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide?
The InChIKey is DSCNPLPSOJGUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-24-13-8-4-11(5-9-13)15(23)21-20-14(22)10-2-6-12(7-3-10)16(17,18)19/h2-9H,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide?
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide has a molecular weight of 338.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 2548088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).