N-(5-chloro-2-cyanophenyl)-2-phenylmethoxy-5-piperidin-1-ylbenzamide

C26H24ClN3O2 — CID 66989829

IUPACN-(5-chloro-2-cyanophenyl)-2-phenylmethoxy-5-piperidin-1-ylbenzamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1cc(N2CCCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C26H24ClN3O2/c27-21-10-9-20(17-28)24(15-21)29-26(31)23-16-22(30-13-5-2-6-14-30)11-12-25(23)32-18-19-7-3-1-4-8-19/h1,3-4,7-12,15-16H,2,5-6,13-14,18H2,(H,29,31)
InChIKeyYJGHXXCLQHLSPJ-UHFFFAOYSA-N
MW445.95 g/mol
LogP6.03
Rot. Bonds6

About N-(5-chloro-2-cyanophenyl)-2-phenylmethoxy-5-piperidin-1-ylbenzamide

N-(5-chloro-2-cyanophenyl)-2-phenylmethoxy-5-piperidin-1-ylbenzamide (PubChem CID 66989829) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-phenylmethoxy-5-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-phenylmethoxy-5-piperidin-1-ylbenzamide
PubChem CID66989829
Molecular FormulaC26H24ClN3O2
Molecular Weight445.95 g/mol
Exact Mass445.16
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-phenylmethoxy-5-piperidin-1-ylbenzamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1cc(N2CCCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C26H24ClN3O2/c27-21-10-9-20(17-28)24(15-21)29-26(31)23-16-22(30-13-5-2-6-14-30)11-12-25(23)32-18-19-7-3-1-4-8-19/h1,3-4,7-12,15-16H,2,5-6,13-14,18H2,(H,29,31)
InChIKeyYJGHXXCLQHLSPJ-UHFFFAOYSA-N
XLogP6.03
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(5-chloro-2-cyanophenyl)-2-phenylmethoxy-5-piperidin-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-chlorobenzonitrile;N-(5-chloro-2-cyanophenyl)-2-methyl-5-piperidin-1-ylbenzamide;N-(2-cyano-5-phenylphenyl)-2-methyl-5-piperidin-1-ylbenzamide
CID 159186883
N-(5-chloro-2-methylphenyl)-2-phenylmethoxybenzamide
CID 4946400
N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide
CID 78954514
2-[(2-butoxy-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoic acid
CID 70857388
3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2275832
2-chloro-N-(5-chloro-2-cyanophenyl)-5-hydroxybenzamide
CID 106501019
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzamide
CID 8799672
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 60628736
5-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
CID 155561624
2-[(5-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614768
2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide
CID 2954012
N-(5-chloro-2-piperidin-1-ylphenyl)-2-phenylmethoxyacetamide
CID 55360085

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-phenylmethoxy-5-piperidin-1-ylbenzamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-phenylmethoxy-5-piperidin-1-ylbenzamide (CID 66989829) is N-(5-chloro-2-cyanophenyl)-2-phenylmethoxy-5-piperidin-1-ylbenzamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-phenylmethoxy-5-piperidin-1-ylbenzamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-phenylmethoxy-5-piperidin-1-ylbenzamide is N#Cc1ccc(Cl)cc1NC(=O)c1cc(N2CCCCC2)ccc1OCc1ccccc1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-phenylmethoxy-5-piperidin-1-ylbenzamide?
The InChIKey is YJGHXXCLQHLSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c27-21-10-9-20(17-28)24(15-21)29-26(31)23-16-22(30-13-5-2-6-14-30)11-12-25(23)32-18-19-7-3-1-4-8-19/h1,3-4,7-12,15-16H,2,5-6,13-14,18H2,(H,29,31).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-phenylmethoxy-5-piperidin-1-ylbenzamide?
N-(5-chloro-2-cyanophenyl)-2-phenylmethoxy-5-piperidin-1-ylbenzamide has a molecular weight of 445.95 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-phenylmethoxy-5-piperidin-1-ylbenzamide is sourced from PubChem (CID 66989829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).