N-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide

C13H19F3N4O — CID 62247665

IUPACN-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide
SMILESCC(CNC(=O)c1ccc(NN)c(C(F)(F)F)c1)N(C)C
InChIInChI=1S/C13H19F3N4O/c1-8(20(2)3)7-18-12(21)9-4-5-11(19-17)10(6-9)13(14,15)16/h4-6,8,19H,7,17H2,1-3H3,(H,18,21)
InChIKeyTVNOWKKTZLPQCS-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.67
Rot. Bonds5

About N-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide

N-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide (PubChem CID 62247665) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide
PubChem CID62247665
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide
SMILESCC(CNC(=O)c1ccc(NN)c(C(F)(F)F)c1)N(C)C
InChIInChI=1S/C13H19F3N4O/c1-8(20(2)3)7-18-12(21)9-4-5-11(19-17)10(6-9)13(14,15)16/h4-6,8,19H,7,17H2,1-3H3,(H,18,21)
InChIKeyTVNOWKKTZLPQCS-UHFFFAOYSA-N
XLogP1.67
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
CID 62241169
4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide
CID 62234841
N-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide
CID 62241359
4-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)benzamide
CID 62236816
4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
CID 62241747
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
CID 63726381
N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide
CID 62242272
N-[2-(dimethylamino)propyl]-4-(ethylamino)-3-methylbenzamide
CID 63213540
3-amino-N-[(2S)-2-(dimethylamino)propyl]-5-(trifluoromethyl)benzamide
CID 163362848
N-[2-(dimethylamino)propyl]-2-hydrazinylbenzamide
CID 62248398
N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide
CID 62171664
4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide
CID 62171618

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide (CID 62247665) is N-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide is CC(CNC(=O)c1ccc(NN)c(C(F)(F)F)c1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide?
The InChIKey is TVNOWKKTZLPQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-8(20(2)3)7-18-12(21)9-4-5-11(19-17)10(6-9)13(14,15)16/h4-6,8,19H,7,17H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide?
N-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide has a molecular weight of 304.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62247665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).