N'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide

C17H16F3N3O2S — CID 18267359

IUPACN'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2ccc(SC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16F3N3O2S/c1-11-2-6-13(7-3-11)21-10-15(24)22-23-16(25)12-4-8-14(9-5-12)26-17(18,19)20/h2-9,21H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyFSKHDIIUNRRXRA-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.48
Rot. Bonds5

About N'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide

N'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide (PubChem CID 18267359) has the molecular formula C17H16F3N3O2S and a molecular weight of 383.40 g/mol. Its IUPAC name is N'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide
PubChem CID18267359
Molecular FormulaC17H16F3N3O2S
Molecular Weight383.40 g/mol
Exact Mass383.09
IUPAC NameN'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2ccc(SC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16F3N3O2S/c1-11-2-6-13(7-3-11)21-10-15(24)22-23-16(25)12-4-8-14(9-5-12)26-17(18,19)20/h2-9,21H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyFSKHDIIUNRRXRA-UHFFFAOYSA-N
XLogP3.48
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
CID 9086775
N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide
CID 7479562
N'-[2-(4-methylanilino)acetyl]-3-methylsulfonylbenzohydrazide
CID 55350628
N-(2-methoxyethyl)-4-[[[2-(4-methylanilino)acetyl]amino]carbamoyl]benzenesulfonamide
CID 55490440
N-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 18145802
N'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide
CID 100994103
methyl 2-[[4-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoyl]amino]acetate
CID 46636688
5-chloro-2-fluoro-N'-[2-(4-methylanilino)acetyl]benzohydrazide
CID 18140176
2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60638136
3-hydroxy-N'-[4-(trifluoromethylsulfanyl)benzoyl]benzohydrazide
CID 17393067
N'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide
CID 56503242
3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide
CID 55348617

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide?
The IUPAC name of N'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide (CID 18267359) is N'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide.
What is the SMILES notation for N'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide?
The canonical SMILES for N'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide is Cc1ccc(NCC(=O)NNC(=O)c2ccc(SC(F)(F)F)cc2)cc1.
What is the InChIKey of N'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide?
The InChIKey is FSKHDIIUNRRXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2S/c1-11-2-6-13(7-3-11)21-10-15(24)22-23-16(25)12-4-8-14(9-5-12)26-17(18,19)20/h2-9,21H,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide?
N'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide has a molecular weight of 383.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylanilino)acetyl]-4-(trifluoromethylsulfanyl)benzohydrazide is sourced from PubChem (CID 18267359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).