N,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide

C28H22F3NO2 — CID 10238595

IUPACN,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(c1ccccc1-c1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H22F3NO2/c29-28(30,31)34-24-17-15-23(16-18-24)25-13-7-8-14-26(25)27(33)32(19-21-9-3-1-4-10-21)20-22-11-5-2-6-12-22/h1-18H,19-20H2
InChIKeyGKKUWNBAZWPCGR-UHFFFAOYSA-N
MW461.48 g/mol
LogP7.09
Rot. Bonds7

About N,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide

N,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 10238595) has the molecular formula C28H22F3NO2 and a molecular weight of 461.48 g/mol. Its IUPAC name is N,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID10238595
Molecular FormulaC28H22F3NO2
Molecular Weight461.48 g/mol
Exact Mass461.16
IUPAC NameN,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(c1ccccc1-c1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H22F3NO2/c29-28(30,31)34-24-17-15-23(16-18-24)25-13-7-8-14-26(25)27(33)32(19-21-9-3-1-4-10-21)20-22-11-5-2-6-12-22/h1-18H,19-20H2
InChIKeyGKKUWNBAZWPCGR-UHFFFAOYSA-N
XLogP7.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.48
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[3-phenylpropyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]phenyl]benzoic acid
CID 66774761
N-benzyl-N-propyl-4-(trifluoromethoxy)benzamide
CID 71026261
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52569662
2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 103694068
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
2-phenyl-5-(trifluoromethoxy)benzoic acid
CID 146035183
N-benzyl-2-chloro-N-[3,3-dihydroxy-3-[4-(trifluoromethoxy)phenyl]propyl]acetamide
CID 176712199
methyl 2-[N-benzyl-4-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)anilino]-2-oxoacetate
CID 143656018
2-[4-[[[2-fluoro-4-(trifluoromethyl)benzoyl]-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid
CID 66774821
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 56540431

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of N,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide (CID 10238595) is N,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for N,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for N,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide is O=C(c1ccccc1-c1ccc(OC(F)(F)F)cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is GKKUWNBAZWPCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F3NO2/c29-28(30,31)34-24-17-15-23(16-18-24)25-13-7-8-14-26(25)27(33)32(19-21-9-3-1-4-10-21)20-22-11-5-2-6-12-22/h1-18H,19-20H2.
What are the key properties of N,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide?
N,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 461.48 g/mol, XLogP of 7.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 10238595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).