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

C22H19F3N2O — CID 175986266

IUPACN-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide
SMILESCc1cc(NCc2ccc(C(F)(F)F)cc2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H19F3N2O/c1-15-13-19(26-14-16-7-9-18(10-8-16)22(23,24)25)11-12-20(15)27-21(28)17-5-3-2-4-6-17/h2-13,26H,14H2,1H3,(H,27,28)
InChIKeyBMJNOZGOHKDHAT-UHFFFAOYSA-N
MW384.40 g/mol
LogP5.88
Rot. Bonds5

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

N-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide (PubChem CID 175986266) has the molecular formula C22H19F3N2O and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide
PubChem CID175986266
Molecular FormulaC22H19F3N2O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC NameN-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide
SMILESCc1cc(NCc2ccc(C(F)(F)F)cc2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H19F3N2O/c1-15-13-19(26-14-16-7-9-18(10-8-16)22(23,24)25)11-12-20(15)27-21(28)17-5-3-2-4-6-17/h2-13,26H,14H2,1H3,(H,27,28)
InChIKeyBMJNOZGOHKDHAT-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-[2-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide
CID 78895527
[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid
CID 68707179
N-[3-methyl-4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 87595403
N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756
ethyl N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 10269475
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
N-[3-benzamido-6-methyl-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 87595404
1-(2,4-dimethylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3822404
N-[4-(benzoylcarbamothioylamino)-2-methylphenyl]benzamide
CID 3311772
N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 46542208
4-(chloromethyl)-N-[4-[[4-(chloromethyl)benzoyl]amino]-3-methylphenyl]benzamide
CID 67251847

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide?
The IUPAC name of N-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide (CID 175986266) is N-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide.
What is the SMILES notation for N-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide?
The canonical SMILES for N-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide is Cc1cc(NCc2ccc(C(F)(F)F)cc2)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide?
The InChIKey is BMJNOZGOHKDHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O/c1-15-13-19(26-14-16-7-9-18(10-8-16)22(23,24)25)11-12-20(15)27-21(28)17-5-3-2-4-6-17/h2-13,26H,14H2,1H3,(H,27,28).
What are the key properties of N-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide?
N-[2-methyl-4-[[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-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide is sourced from PubChem (CID 175986266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).