N-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide

C23H23Cl2NO — CID 4545545

IUPACN-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide
SMILESO=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H23Cl2NO/c24-18-3-6-20(21(25)10-18)22(27)26-19-4-1-17(2-5-19)23-11-14-7-15(12-23)9-16(8-14)13-23/h1-6,10,14-16H,7-9,11-13H2,(H,26,27)
InChIKeyKQYMTSQIZVOQLD-UHFFFAOYSA-N
MW400.35 g/mol
LogP6.71
Rot. Bonds3

About N-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide

N-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide (PubChem CID 4545545) has the molecular formula C23H23Cl2NO and a molecular weight of 400.35 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide
PubChem CID4545545
Molecular FormulaC23H23Cl2NO
Molecular Weight400.35 g/mol
Exact Mass399.12
IUPAC NameN-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide
SMILESO=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H23Cl2NO/c24-18-3-6-20(21(25)10-18)22(27)26-19-4-1-17(2-5-19)23-11-14-7-15(12-23)9-16(8-14)13-23/h1-6,10,14-16H,7-9,11-13H2,(H,26,27)
InChIKeyKQYMTSQIZVOQLD-UHFFFAOYSA-N
XLogP6.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.35
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,4-dichlorobenzamide
CID 4032449
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2,4-dichloro-N-[4-(1,3-dithiolan-2-yl)phenyl]benzamide
CID 2819049
2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356
2,4-dichloro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 9203694
N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]adamantane-1-carboxamide
CID 2917667
2,4-dichloro-N-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]benzamide
CID 1348326
2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide
CID 2206480
N-[4-(1-adamantyl)phenyl]-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 4285874
2,4-dichloro-N-(4-isocyanatophenyl)benzamide
CID 169353449
2,4-dichloro-N-[4-[(2,4-dichlorobenzoyl)sulfamoyl]phenyl]benzamide
CID 5064055
N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
CID 43321115

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide (CID 4545545) is N-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide is O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide?
The InChIKey is KQYMTSQIZVOQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2NO/c24-18-3-6-20(21(25)10-18)22(27)26-19-4-1-17(2-5-19)23-11-14-7-15(12-23)9-16(8-14)13-23/h1-6,10,14-16H,7-9,11-13H2,(H,26,27).
What are the key properties of N-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide?
N-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide has a molecular weight of 400.35 g/mol, XLogP of 6.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 4545545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).