4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide

C25H24Cl2N2O2 — CID 121141499

IUPAC4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
SMILESCOC1CCCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)cc2)C1
InChIInChI=1S/C25H24Cl2N2O2/c1-31-22-3-2-14-29(16-22)21-11-9-20(10-12-21)28-25(30)18-6-4-17(5-7-18)19-8-13-23(26)24(27)15-19/h4-13,15,22H,2-3,14,16H2,1H3,(H,28,30)
InChIKeyGUHAMZJBBVAWPU-UHFFFAOYSA-N
MW455.39 g/mol
LogP6.53
Rot. Bonds5

About 4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide

4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide (PubChem CID 121141499) has the molecular formula C25H24Cl2N2O2 and a molecular weight of 455.39 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
PubChem CID121141499
Molecular FormulaC25H24Cl2N2O2
Molecular Weight455.39 g/mol
Exact Mass454.12
IUPAC Name4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
SMILESCOC1CCCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)cc2)C1
InChIInChI=1S/C25H24Cl2N2O2/c1-31-22-3-2-14-29(16-22)21-11-9-20(10-12-21)28-25(30)18-6-4-17(5-7-18)19-8-13-23(26)24(27)15-19/h4-13,15,22H,2-3,14,16H2,1H3,(H,28,30)
InChIKeyGUHAMZJBBVAWPU-UHFFFAOYSA-N
XLogP6.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 56.53
H-Bond Donors ≤ 51
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

1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea
CID 121141708
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121141464
N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide
CID 121141605
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141504
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 121141491
3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide
CID 121141419
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide
CID 97427664
3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
CID 807268
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide (CID 121141499) is 4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide is COC1CCCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)cc2)C1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide?
The InChIKey is GUHAMZJBBVAWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O2/c1-31-22-3-2-14-29(16-22)21-11-9-20(10-12-21)28-25(30)18-6-4-17(5-7-18)19-8-13-23(26)24(27)15-19/h4-13,15,22H,2-3,14,16H2,1H3,(H,28,30).
What are the key properties of 4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide?
4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide has a molecular weight of 455.39 g/mol, XLogP of 6.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 121141499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).