2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-2-iminoacetohydrazide

C16H13Cl2F3N4O — CID 143191952

IUPAC2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-2-iminoacetohydrazide
SMILES[H]/N=C(\C(=O)NN)c1ccc(C(F)(F)F)cc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2F3N4O/c17-10-3-1-8(12(18)6-10)7-24-13-5-9(16(19,20)21)2-4-11(13)14(22)15(26)25-23/h1-6,22,24H,7,23H2,(H,25,26)/b22-14-
InChIKeyBYUBQFZSNSDRBY-HMAPJEAMSA-N
MW405.21 g/mol
LogP3.98
Rot. Bonds5

About 2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-2-iminoacetohydrazide

2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-2-iminoacetohydrazide (PubChem CID 143191952) has the molecular formula C16H13Cl2F3N4O and a molecular weight of 405.21 g/mol. Its IUPAC name is 2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-2-iminoacetohydrazide.

Molecular Properties

Compound Name2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-2-iminoacetohydrazide
PubChem CID143191952
Molecular FormulaC16H13Cl2F3N4O
Molecular Weight405.21 g/mol
Exact Mass404.04
IUPAC Name2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-2-iminoacetohydrazide
SMILES[H]/N=C(\C(=O)NN)c1ccc(C(F)(F)F)cc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2F3N4O/c17-10-3-1-8(12(18)6-10)7-24-13-5-9(16(19,20)21)2-4-11(13)14(22)15(26)25-23/h1-6,22,24H,7,23H2,(H,25,26)/b22-14-
InChIKeyBYUBQFZSNSDRBY-HMAPJEAMSA-N
XLogP3.98
TPSA91.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.21
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2,4-dichlorophenyl)methylamino]-4-sulfanylphenyl]-2-iminoacetohydrazide
CID 143191965
ethyl (E)-4-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-4-iminobut-2-enoate
CID 143192048
(E)-N'-amino-4-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-4-iminobut-2-enimidamide
CID 143191976
2-[2-[(2,4-dichlorophenyl)methylamino]phenyl]-2-imino-N-(1,3-thiazol-2-yl)acetamide
CID 163876538
2-[2-[(2,4-difluorophenyl)methylamino]-5-(trifluoromethyl)phenyl]-2-iminoacetic acid
CID 143191982
methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43230186
4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol
CID 63463410
ethyl 2-[2-[(2,4-dichlorophenyl)methylamino]-4-(1-formyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2-iminoacetate
CID 130444234
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
methyl (E)-4-[2-[(2,4-dichlorophenyl)methylamino]-4-methylsulfonylphenyl]-4-iminobut-2-enoate
CID 143192011
2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 63411541
2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 43312527

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-2-iminoacetohydrazide?
The IUPAC name of 2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-2-iminoacetohydrazide (CID 143191952) is 2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-2-iminoacetohydrazide.
What is the SMILES notation for 2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-2-iminoacetohydrazide?
The canonical SMILES for 2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-2-iminoacetohydrazide is [H]/N=C(\C(=O)NN)c1ccc(C(F)(F)F)cc1NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-2-iminoacetohydrazide?
The InChIKey is BYUBQFZSNSDRBY-HMAPJEAMSA-N. The full InChI is InChI=1S/C16H13Cl2F3N4O/c17-10-3-1-8(12(18)6-10)7-24-13-5-9(16(19,20)21)2-4-11(13)14(22)15(26)25-23/h1-6,22,24H,7,23H2,(H,25,26)/b22-14-.
What are the key properties of 2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-2-iminoacetohydrazide?
2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-2-iminoacetohydrazide has a molecular weight of 405.21 g/mol, XLogP of 3.98, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dichlorophenyl)methylamino]-4-(trifluoromethyl)phenyl]-2-iminoacetohydrazide is sourced from PubChem (CID 143191952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).