4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide

C24H23F3N2O — CID 5109793

IUPAC4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCCCCc1ccc(-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)nc1
InChIInChI=1S/C24H23F3N2O/c1-2-3-4-6-17-9-14-22(28-16-17)18-10-12-19(13-11-18)23(30)29-21-8-5-7-20(15-21)24(25,26)27/h5,7-16H,2-4,6H2,1H3,(H,29,30)
InChIKeyYVDNAKUXVZXFAX-UHFFFAOYSA-N
MW412.46 g/mol
LogP6.75
Rot. Bonds7

About 4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide

4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 5109793) has the molecular formula C24H23F3N2O and a molecular weight of 412.46 g/mol. Its IUPAC name is 4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID5109793
Molecular FormulaC24H23F3N2O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCCCCc1ccc(-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)nc1
InChIInChI=1S/C24H23F3N2O/c1-2-3-4-6-17-9-14-22(28-16-17)18-10-12-19(13-11-18)23(30)29-21-8-5-7-20(15-21)24(25,26)27/h5,7-16H,2-4,6H2,1H3,(H,29,30)
InChIKeyYVDNAKUXVZXFAX-UHFFFAOYSA-N
XLogP6.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide
CID 140904471
4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide
CID 5174853
N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide
CID 3324314
1-N-butyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043779
N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide
CID 11304509
1-(4-hexylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 27255794
4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46500977
3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167860
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
N-(4-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501318
N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide
CID 46090574
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218

Frequently Asked Questions

What is the IUPAC name of 4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 5109793) is 4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide is CCCCCc1ccc(-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)nc1.
What is the InChIKey of 4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YVDNAKUXVZXFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O/c1-2-3-4-6-17-9-14-22(28-16-17)18-10-12-19(13-11-18)23(30)29-21-8-5-7-20(15-21)24(25,26)27/h5,7-16H,2-4,6H2,1H3,(H,29,30).
What are the key properties of 4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 412.46 g/mol, XLogP of 6.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 5109793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).