N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide

C23H22Cl2N2O — CID 11304509

IUPACN-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide
SMILESCCCCCc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)nc1
InChIInChI=1S/C23H22Cl2N2O/c1-2-3-4-5-16-6-12-21(26-15-16)17-7-9-18(10-8-17)23(28)27-22-13-11-19(24)14-20(22)25/h6-15H,2-5H2,1H3,(H,27,28)
InChIKeyXYVCHWVURUPXPV-UHFFFAOYSA-N
MW413.35 g/mol
LogP7.04
Rot. Bonds7

About N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide

N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide (PubChem CID 11304509) has the molecular formula C23H22Cl2N2O and a molecular weight of 413.35 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide
PubChem CID11304509
Molecular FormulaC23H22Cl2N2O
Molecular Weight413.35 g/mol
Exact Mass412.11
IUPAC NameN-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide
SMILESCCCCCc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)nc1
InChIInChI=1S/C23H22Cl2N2O/c1-2-3-4-5-16-6-12-21(26-15-16)17-7-9-18(10-8-17)23(28)27-22-13-11-19(24)14-20(22)25/h6-15H,2-5H2,1H3,(H,27,28)
InChIKeyXYVCHWVURUPXPV-UHFFFAOYSA-N
XLogP7.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.35
LogP ≤ 57.04
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
N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide
CID 23740078
N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide
CID 3324314
4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide
CID 5174853
4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5109793
1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043816
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107296
5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139621534
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide (CID 11304509) is N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide is CCCCCc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)nc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide?
The InChIKey is XYVCHWVURUPXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O/c1-2-3-4-5-16-6-12-21(26-15-16)17-7-9-18(10-8-17)23(28)27-22-13-11-19(24)14-20(22)25/h6-15H,2-5H2,1H3,(H,27,28).
What are the key properties of N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide?
N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide has a molecular weight of 413.35 g/mol, XLogP of 7.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide is sourced from PubChem (CID 11304509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).