N-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide

C17H19F3N4O3 — CID 146643476

IUPACN-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide
SMILESCNNc1c(N)ccc(OC)c1CNC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4O3/c1-22-24-15-12(14(26-2)8-7-13(15)21)9-23-16(25)10-3-5-11(6-4-10)27-17(18,19)20/h3-8,22,24H,9,21H2,1-2H3,(H,23,25)
InChIKeyJLOKXAFANNWGOA-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.65
Rot. Bonds7

About N-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide

N-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 146643476) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is N-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide
PubChem CID146643476
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC NameN-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide
SMILESCNNc1c(N)ccc(OC)c1CNC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4O3/c1-22-24-15-12(14(26-2)8-7-13(15)21)9-23-16(25)10-3-5-11(6-4-10)27-17(18,19)20/h3-8,22,24H,9,21H2,1-2H3,(H,23,25)
InChIKeyJLOKXAFANNWGOA-UHFFFAOYSA-N
XLogP2.65
TPSA97.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261622
4-ethoxy-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575944
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
N-[2-(2-methoxyphenoxy)ethyl]-4-(trifluoromethoxy)benzamide
CID 27823943
N-[(5-ethyl-2,3-dihydro-1H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 146643886
N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
CID 116629079
N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 55905383
3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 2121805
N-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 115598108
2-methoxyethyl 4-(trifluoromethoxy)benzoate
CID 78831247
N-[(5-ethyl-2H-benzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 137453512
4-methoxy-N-(pyridin-4-ylmethyl)-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzamide
CID 23141454

Frequently Asked Questions

What is the IUPAC name of N-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide (CID 146643476) is N-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide is CNNc1c(N)ccc(OC)c1CNC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is JLOKXAFANNWGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c1-22-24-15-12(14(26-2)8-7-13(15)21)9-23-16(25)10-3-5-11(6-4-10)27-17(18,19)20/h3-8,22,24H,9,21H2,1-2H3,(H,23,25).
What are the key properties of N-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide?
N-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 384.36 g/mol, XLogP of 2.65, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-amino-6-methoxy-2-(2-methylhydrazinyl)phenyl]methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 146643476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).