3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide

C18H18F3N3O2 — CID 27606687

IUPAC3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H18F3N3O2/c1-24(2)15-8-4-6-13(11-15)17(26)23-22-16(25)10-12-5-3-7-14(9-12)18(19,20)21/h3-9,11H,10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyRPGAGESTZQXLNB-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.78
Rot. Bonds4

About 3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide

3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide (PubChem CID 27606687) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide.

Molecular Properties

Compound Name3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide
PubChem CID27606687
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H18F3N3O2/c1-24(2)15-8-4-6-13(11-15)17(26)23-22-16(25)10-12-5-3-7-14(9-12)18(19,20)21/h3-9,11H,10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyRPGAGESTZQXLNB-UHFFFAOYSA-N
XLogP2.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.78
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

3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2319650
3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 26184762
N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide
CID 26184746
3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide
CID 30485788
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 7925712
3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 27134177
3-(dimethylamino)-N'-[3-(3-methoxyphenyl)propanoyl]benzohydrazide
CID 34409132
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 16525026
2-[2-[2-[4-(dimethylamino)benzoyl]hydrazinyl]-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3925153
1-[[2-(N-methylanilino)acetyl]amino]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 86859978

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide?
The IUPAC name of 3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide (CID 27606687) is 3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide.
What is the SMILES notation for 3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide?
The canonical SMILES for 3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide is CN(C)c1cccc(C(=O)NNC(=O)Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide?
The InChIKey is RPGAGESTZQXLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-24(2)15-8-4-6-13(11-15)17(26)23-22-16(25)10-12-5-3-7-14(9-12)18(19,20)21/h3-9,11H,10H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide?
3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide has a molecular weight of 365.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide is sourced from PubChem (CID 27606687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).