N-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-(3,5-dichlorophenyl)benzamide

C38H33Cl2N3O2 — CID 20773823

IUPACN-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-(3,5-dichlorophenyl)benzamide
SMILESO=C(Nc1ccc(N2CCC(C(C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1)c1ccccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C38H33Cl2N3O2/c39-29-23-28(24-30(40)25-29)34-13-7-8-14-35(34)37(44)41-32-15-17-33(18-16-32)43-21-19-27(20-22-43)36(26-9-3-1-4-10-26)38(45)42-31-11-5-2-6-12-31/h1-18,23-25,27,36H,19-22H2,(H,41,44)(H,42,45)
InChIKeyZSQAMFIHPGFBGS-UHFFFAOYSA-N
MW634.61 g/mol
LogP9.55
Rot. Bonds8

About N-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-(3,5-dichlorophenyl)benzamide

N-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-(3,5-dichlorophenyl)benzamide (PubChem CID 20773823) has the molecular formula C38H33Cl2N3O2 and a molecular weight of 634.61 g/mol. Its IUPAC name is N-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-(3,5-dichlorophenyl)benzamide.

Molecular Properties

Compound NameN-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-(3,5-dichlorophenyl)benzamide
PubChem CID20773823
Molecular FormulaC38H33Cl2N3O2
Molecular Weight634.61 g/mol
Exact Mass633.19
IUPAC NameN-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-(3,5-dichlorophenyl)benzamide
SMILESO=C(Nc1ccc(N2CCC(C(C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1)c1ccccc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C38H33Cl2N3O2/c39-29-23-28(24-30(40)25-29)34-13-7-8-14-35(34)37(44)41-32-15-17-33(18-16-32)43-21-19-27(20-22-43)36(26-9-3-1-4-10-26)38(45)42-31-11-5-2-6-12-31/h1-18,23-25,27,36H,19-22H2,(H,41,44)(H,42,45)
InChIKeyZSQAMFIHPGFBGS-UHFFFAOYSA-N
XLogP9.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.61
LogP ≤ 59.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-(3-methylphenyl)benzamide
CID 20773857
2-[1-[4-[2-[2-(4-chlorophenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-N,2-diphenylacetamide
CID 58495987
N-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-benzylbenzamide
CID 20773851
2-(3-aminophenyl)-N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide
CID 20773824
dimethyl 2-[[2-phenyl-2-[1-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]piperidin-4-yl]acetyl]amino]pentanedioate
CID 59127956
(2R)-2-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-phenylacetamide
CID 95989343
methyl 3-methyl-2-[[2-phenyl-2-[1-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]piperidin-4-yl]acetyl]amino]pentanoate
CID 59127999
methyl 2-[methyl-[1-[4-[(2-phenylbenzoyl)amino]phenyl]piperidin-4-yl]amino]-2-phenylacetate
CID 58741451
N-[4-[4-[2-(benzylamino)-1-phenylprop-2-enyl]piperidin-1-yl]phenyl]-2-(2-methylphenyl)benzamide
CID 89016935
N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]benzamide
CID 58787317
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
2-[1-[4-[1-[2-(4-tert-butylphenyl)phenyl]ethenylamino]phenyl]piperidin-4-yl]-N-(2-oxopropyl)-2-phenylacetamide
CID 142175359

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-(3,5-dichlorophenyl)benzamide?
The IUPAC name of N-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-(3,5-dichlorophenyl)benzamide (CID 20773823) is N-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-(3,5-dichlorophenyl)benzamide.
What is the SMILES notation for N-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-(3,5-dichlorophenyl)benzamide?
The canonical SMILES for N-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-(3,5-dichlorophenyl)benzamide is O=C(Nc1ccc(N2CCC(C(C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1)c1ccccc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-(3,5-dichlorophenyl)benzamide?
The InChIKey is ZSQAMFIHPGFBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33Cl2N3O2/c39-29-23-28(24-30(40)25-29)34-13-7-8-14-35(34)37(44)41-32-15-17-33(18-16-32)43-21-19-27(20-22-43)36(26-9-3-1-4-10-26)38(45)42-31-11-5-2-6-12-31/h1-18,23-25,27,36H,19-22H2,(H,41,44)(H,42,45).
What are the key properties of N-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-(3,5-dichlorophenyl)benzamide?
N-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-(3,5-dichlorophenyl)benzamide has a molecular weight of 634.61 g/mol, XLogP of 9.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-anilino-2-oxo-1-phenylethyl)piperidin-1-yl]phenyl]-2-(3,5-dichlorophenyl)benzamide is sourced from PubChem (CID 20773823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).