N-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide

C22H19F3N2O — CID 78895527

IUPACN-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide
SMILESCc1c(NCc2ccc(C(F)(F)F)cc2)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H19F3N2O/c1-15-19(26-14-16-10-12-18(13-11-16)22(23,24)25)8-5-9-20(15)27-21(28)17-6-3-2-4-7-17/h2-13,26H,14H2,1H3,(H,27,28)
InChIKeyFYQZMJIMUQXWLG-UHFFFAOYSA-N
MW384.40 g/mol
LogP5.88
Rot. Bonds5

About N-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide

N-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide (PubChem CID 78895527) has the molecular formula C22H19F3N2O and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide
PubChem CID78895527
Molecular FormulaC22H19F3N2O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC NameN-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide
SMILESCc1c(NCc2ccc(C(F)(F)F)cc2)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H19F3N2O/c1-15-19(26-14-16-10-12-18(13-11-16)22(23,24)25)8-5-9-20(15)27-21(28)17-6-3-2-4-7-17/h2-13,26H,14H2,1H3,(H,27,28)
InChIKeyFYQZMJIMUQXWLG-UHFFFAOYSA-N
XLogP5.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide
CID 110006557
N-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide
CID 175986266
N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide
CID 55918836
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
N-[2-methyl-3-(2-phenylethylamino)phenyl]benzamide
CID 112839420
N-(3-benzamido-2-methylphenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55899419
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
methyl 2-(3-benzamido-2-methylanilino)acetate
CID 47064255
benzoic acid;N-benzyl-2,3-dimethylaniline
CID 175448548
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
N,N-dimethyl-2-[[4-(trifluoromethyl)phenyl]methylamino]benzamide
CID 78882971
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide?
The IUPAC name of N-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide (CID 78895527) is N-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide.
What is the SMILES notation for N-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide?
The canonical SMILES for N-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide is Cc1c(NCc2ccc(C(F)(F)F)cc2)cccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide?
The InChIKey is FYQZMJIMUQXWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O/c1-15-19(26-14-16-10-12-18(13-11-16)22(23,24)25)8-5-9-20(15)27-21(28)17-6-3-2-4-7-17/h2-13,26H,14H2,1H3,(H,27,28).
What are the key properties of N-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide?
N-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide has a molecular weight of 384.40 g/mol, XLogP of 5.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide is sourced from PubChem (CID 78895527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).