N-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide

C16H15ClF3N3O — CID 126485566

IUPACN-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide
SMILESCN(C)N(Cc1ccc(Cl)nc1)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H15ClF3N3O/c1-22(2)23(10-11-7-8-14(17)21-9-11)15(24)12-5-3-4-6-13(12)16(18,19)20/h3-9H,10H2,1-2H3
InChIKeySTRKSMGJYWZHDZ-UHFFFAOYSA-N
MW357.76 g/mol
LogP3.87
Rot. Bonds4

About N-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide

N-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide (PubChem CID 126485566) has the molecular formula C16H15ClF3N3O and a molecular weight of 357.76 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide
PubChem CID126485566
Molecular FormulaC16H15ClF3N3O
Molecular Weight357.76 g/mol
Exact Mass357.09
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide
SMILESCN(C)N(Cc1ccc(Cl)nc1)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H15ClF3N3O/c1-22(2)23(10-11-7-8-14(17)21-9-11)15(24)12-5-3-4-6-13(12)16(18,19)20/h3-9H,10H2,1-2H3
InChIKeySTRKSMGJYWZHDZ-UHFFFAOYSA-N
XLogP3.87
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 112792620
N-[(2-chlorophenyl)methyl]-N',N'-diethyl-2-(trifluoromethyl)benzohydrazide
CID 135237032
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzamide
CID 42377327
N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine
CID 89003402
6-chloro-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
CID 26357037
N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide
CID 52764442
N-(2-bromopropyl)-N-methyl-2-(trifluoromethyl)benzamide
CID 80665083
2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 47145617
N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide
CID 19967186
2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 78895322
(6-chloro-3-pyridinyl)methyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 33318448

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide (CID 126485566) is N-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide is CN(C)N(Cc1ccc(Cl)nc1)C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide?
The InChIKey is STRKSMGJYWZHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O/c1-22(2)23(10-11-7-8-14(17)21-9-11)15(24)12-5-3-4-6-13(12)16(18,19)20/h3-9H,10H2,1-2H3.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide?
N-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide has a molecular weight of 357.76 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 126485566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).