N,N-dibenzyl-2-[4-(trifluoromethyl)phenyl]pentanamide

C26H26F3NO — CID 134938962

IUPACN,N-dibenzyl-2-[4-(trifluoromethyl)phenyl]pentanamide
SMILESCCCC(C(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H26F3NO/c1-2-9-24(22-14-16-23(17-15-22)26(27,28)29)25(31)30(18-20-10-5-3-6-11-20)19-21-12-7-4-8-13-21/h3-8,10-17,24H,2,9,18-19H2,1H3
InChIKeyTYBGEMZSPGQJPW-UHFFFAOYSA-N
MW425.49 g/mol
LogP6.82
Rot. Bonds8

About N,N-dibenzyl-2-[4-(trifluoromethyl)phenyl]pentanamide

N,N-dibenzyl-2-[4-(trifluoromethyl)phenyl]pentanamide (PubChem CID 134938962) has the molecular formula C26H26F3NO and a molecular weight of 425.49 g/mol. Its IUPAC name is N,N-dibenzyl-2-[4-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[4-(trifluoromethyl)phenyl]pentanamide
PubChem CID134938962
Molecular FormulaC26H26F3NO
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN,N-dibenzyl-2-[4-(trifluoromethyl)phenyl]pentanamide
SMILESCCCC(C(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H26F3NO/c1-2-9-24(22-14-16-23(17-15-22)26(27,28)29)25(31)30(18-20-10-5-3-6-11-20)19-21-12-7-4-8-13-21/h3-8,10-17,24H,2,9,18-19H2,1H3
InChIKeyTYBGEMZSPGQJPW-UHFFFAOYSA-N
XLogP6.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Dibenzylbenzamide
CID 101312
N-(4-Methylbenzoyl)-4-benzylpiperidine
CID 1415427
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
3-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]propanamide
CID 11168182
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(4-trifluoromethyl-phenyl)-acetamide
CID 9821780
1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluoromethyl-phenyl)-1,3,4,7-tetrahydro-azepin-2-one
CID 22573217
(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide
CID 57398782
N,N-dibenzyl-2,6-difluorobenzamide
CID 2321718
N-benzyl-N-isopropyl-3-phenylpropanamide
CID 875288
N-cyclohexyl-N-methyl-4-phenylbenzamide
CID 1226772
N-Benzyl-N-methyl-2-phenylacetamide
CID 692800
N,N-diethyl-2,2-diphenylacetamide
CID 229107

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[4-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of N,N-dibenzyl-2-[4-(trifluoromethyl)phenyl]pentanamide (CID 134938962) is N,N-dibenzyl-2-[4-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for N,N-dibenzyl-2-[4-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for N,N-dibenzyl-2-[4-(trifluoromethyl)phenyl]pentanamide is CCCC(C(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,N-dibenzyl-2-[4-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is TYBGEMZSPGQJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3NO/c1-2-9-24(22-14-16-23(17-15-22)26(27,28)29)25(31)30(18-20-10-5-3-6-11-20)19-21-12-7-4-8-13-21/h3-8,10-17,24H,2,9,18-19H2,1H3.
What are the key properties of N,N-dibenzyl-2-[4-(trifluoromethyl)phenyl]pentanamide?
N,N-dibenzyl-2-[4-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 425.49 g/mol, XLogP of 6.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[4-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 134938962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).