N-(3-chloro-4-fluorophenyl)-3-[(4-phenylmethoxypiperidin-1-yl)methylamino]benzamide

C26H27ClFN3O2 — CID 147840696

IUPACN-(3-chloro-4-fluorophenyl)-3-[(4-phenylmethoxypiperidin-1-yl)methylamino]benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc(NCN2CCC(OCc3ccccc3)CC2)c1
InChIInChI=1S/C26H27ClFN3O2/c27-24-16-22(9-10-25(24)28)30-26(32)20-7-4-8-21(15-20)29-18-31-13-11-23(12-14-31)33-17-19-5-2-1-3-6-19/h1-10,15-16,23,29H,11-14,17-18H2,(H,30,32)
InChIKeyHSXHQQFBQKHLQN-UHFFFAOYSA-N
MW467.97 g/mol
LogP5.78
Rot. Bonds8

About N-(3-chloro-4-fluorophenyl)-3-[(4-phenylmethoxypiperidin-1-yl)methylamino]benzamide

N-(3-chloro-4-fluorophenyl)-3-[(4-phenylmethoxypiperidin-1-yl)methylamino]benzamide (PubChem CID 147840696) has the molecular formula C26H27ClFN3O2 and a molecular weight of 467.97 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[(4-phenylmethoxypiperidin-1-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[(4-phenylmethoxypiperidin-1-yl)methylamino]benzamide
PubChem CID147840696
Molecular FormulaC26H27ClFN3O2
Molecular Weight467.97 g/mol
Exact Mass467.18
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[(4-phenylmethoxypiperidin-1-yl)methylamino]benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc(NCN2CCC(OCc3ccccc3)CC2)c1
InChIInChI=1S/C26H27ClFN3O2/c27-24-16-22(9-10-25(24)28)30-26(32)20-7-4-8-21(15-20)29-18-31-13-11-23(12-14-31)33-17-19-5-2-1-3-6-19/h1-10,15-16,23,29H,11-14,17-18H2,(H,30,32)
InChIKeyHSXHQQFBQKHLQN-UHFFFAOYSA-N
XLogP5.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.97
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-fluorophenyl)-3-[(4-phenylmethoxypiperidin-1-yl)methylamino]benzamide 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

N-(3-chloro-4-fluorophenyl)-3-phenylmethoxybenzamide
CID 1074686
N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-phenylethoxy)benzamide
CID 26166889
N-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide
CID 158715416
N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55633340
N-(3-chloro-4-fluorophenyl)-3-[(3S,6R)-3,6-dihydroxyazepan-1-yl]sulfonyl-4-fluorobenzamide;dibenzyl [(3S,6R)-1-[5-[(3-chloro-4-fluorophenyl)carbamoyl]-2-fluorophenyl]sulfonyl-6-hydroxyazepan-3-yl] phosphate
CID 161484375
2-phenylethyl 4-[3-[(3-chloro-4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoate
CID 26166741
N,N'-bis[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 43878146
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166664
N-(3-chloro-4-fluorophenyl)-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)methylamino]benzamide
CID 161201377
N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 26166788
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166630

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(4-phenylmethoxypiperidin-1-yl)methylamino]benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(4-phenylmethoxypiperidin-1-yl)methylamino]benzamide (CID 147840696) is N-(3-chloro-4-fluorophenyl)-3-[(4-phenylmethoxypiperidin-1-yl)methylamino]benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[(4-phenylmethoxypiperidin-1-yl)methylamino]benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[(4-phenylmethoxypiperidin-1-yl)methylamino]benzamide is O=C(Nc1ccc(F)c(Cl)c1)c1cccc(NCN2CCC(OCc3ccccc3)CC2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[(4-phenylmethoxypiperidin-1-yl)methylamino]benzamide?
The InChIKey is HSXHQQFBQKHLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN3O2/c27-24-16-22(9-10-25(24)28)30-26(32)20-7-4-8-21(15-20)29-18-31-13-11-23(12-14-31)33-17-19-5-2-1-3-6-19/h1-10,15-16,23,29H,11-14,17-18H2,(H,30,32).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[(4-phenylmethoxypiperidin-1-yl)methylamino]benzamide?
N-(3-chloro-4-fluorophenyl)-3-[(4-phenylmethoxypiperidin-1-yl)methylamino]benzamide has a molecular weight of 467.97 g/mol, XLogP of 5.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[(4-phenylmethoxypiperidin-1-yl)methylamino]benzamide is sourced from PubChem (CID 147840696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).