4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide

C17H17F3N2O — CID 99792432

IUPAC4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccccc1CNc1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O/c1-12-4-2-3-5-14(12)10-21-15-8-6-13(7-9-15)16(23)22-11-17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23)
InChIKeyAVSCKRKLTOCULF-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.90
Rot. Bonds5

About 4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide

4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 99792432) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID99792432
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccccc1CNc1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O/c1-12-4-2-3-5-14(12)10-21-15-8-6-13(7-9-15)16(23)22-11-17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23)
InChIKeyAVSCKRKLTOCULF-UHFFFAOYSA-N
XLogP3.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51072880
4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982011
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
4-N-(4-fluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046825
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
N-ethyl-4-[(2-ethylphenyl)methylamino]benzamide
CID 62391591
2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982009
N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914832
methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate
CID 43730235
2-(2-fluorophenyl)-N-[4-[(2-methylphenyl)methylamino]phenyl]acetamide
CID 112982033
4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 43742171
4-N-(4-ethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046822

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide (CID 99792432) is 4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide is Cc1ccccc1CNc1ccc(C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is AVSCKRKLTOCULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-12-4-2-3-5-14(12)10-21-15-8-6-13(7-9-15)16(23)22-11-17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23).
What are the key properties of 4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide?
4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 322.33 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 99792432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).