N-[(2-chlorophenyl)methyl]-N',N'-diethyl-2-(trifluoromethyl)benzohydrazide

C19H20ClF3N2O — CID 135237032

IUPACN-[(2-chlorophenyl)methyl]-N',N'-diethyl-2-(trifluoromethyl)benzohydrazide
SMILESCCN(CC)N(Cc1ccccc1Cl)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H20ClF3N2O/c1-3-24(4-2)25(13-14-9-5-8-12-17(14)20)18(26)15-10-6-7-11-16(15)19(21,22)23/h5-12H,3-4,13H2,1-2H3
InChIKeyMFKTYZGOYFIQFE-UHFFFAOYSA-N
MW384.83 g/mol
LogP5.26
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N',N'-diethyl-2-(trifluoromethyl)benzohydrazide

N-[(2-chlorophenyl)methyl]-N',N'-diethyl-2-(trifluoromethyl)benzohydrazide (PubChem CID 135237032) has the molecular formula C19H20ClF3N2O and a molecular weight of 384.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N',N'-diethyl-2-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N',N'-diethyl-2-(trifluoromethyl)benzohydrazide
PubChem CID135237032
Molecular FormulaC19H20ClF3N2O
Molecular Weight384.83 g/mol
Exact Mass384.12
IUPAC NameN-[(2-chlorophenyl)methyl]-N',N'-diethyl-2-(trifluoromethyl)benzohydrazide
SMILESCCN(CC)N(Cc1ccccc1Cl)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H20ClF3N2O/c1-3-24(4-2)25(13-14-9-5-8-12-17(14)20)18(26)15-10-6-7-11-16(15)19(21,22)23/h5-12H,3-4,13H2,1-2H3
InChIKeyMFKTYZGOYFIQFE-UHFFFAOYSA-N
XLogP5.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.83
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]-N',N'-dimethyl-2-(trifluoromethyl)benzohydrazide
CID 126485566
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
2-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18112781
2-[butan-2-yl-[2-(trifluoromethyl)benzoyl]amino]acetic acid
CID 60827561
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CID 63074913
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
N-[(2-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514772
3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide
CID 115930313
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000500
N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 112792620
4-chloro-5-[ethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]dithiol-3-one
CID 151433058

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N',N'-diethyl-2-(trifluoromethyl)benzohydrazide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N',N'-diethyl-2-(trifluoromethyl)benzohydrazide (CID 135237032) is N-[(2-chlorophenyl)methyl]-N',N'-diethyl-2-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N',N'-diethyl-2-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N',N'-diethyl-2-(trifluoromethyl)benzohydrazide is CCN(CC)N(Cc1ccccc1Cl)C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N',N'-diethyl-2-(trifluoromethyl)benzohydrazide?
The InChIKey is MFKTYZGOYFIQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O/c1-3-24(4-2)25(13-14-9-5-8-12-17(14)20)18(26)15-10-6-7-11-16(15)19(21,22)23/h5-12H,3-4,13H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N',N'-diethyl-2-(trifluoromethyl)benzohydrazide?
N-[(2-chlorophenyl)methyl]-N',N'-diethyl-2-(trifluoromethyl)benzohydrazide has a molecular weight of 384.83 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N',N'-diethyl-2-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 135237032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).