N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide

C19H19Cl2FN2O — CID 43923085

IUPACN-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H19Cl2FN2O/c20-15-5-3-13(4-6-15)11-24-9-1-2-14(12-24)19(25)23-16-7-8-18(22)17(21)10-16/h3-8,10,14H,1-2,9,11-12H2,(H,23,25)
InChIKeyGMWYQGHWTGLLMH-UHFFFAOYSA-N
MW381.28 g/mol
LogP4.98
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43923085) has the molecular formula C19H19Cl2FN2O and a molecular weight of 381.28 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43923085
Molecular FormulaC19H19Cl2FN2O
Molecular Weight381.28 g/mol
Exact Mass380.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H19Cl2FN2O/c20-15-5-3-13(4-6-15)11-24-9-1-2-14(12-24)19(25)23-16-7-8-18(22)17(21)10-16/h3-8,10,14H,1-2,9,11-12H2,(H,23,25)
InChIKeyGMWYQGHWTGLLMH-UHFFFAOYSA-N
XLogP4.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924875
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 43923089
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-[(4-chlorophenyl)methyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43922850
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 43925020
1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide
CID 43921795
(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504
N-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43926086
(3R)-N-(1,2-benzothiazol-5-yl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 100777636
ethyl 2-chloro-4-[[(3R)-1-[(4-fluorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 94025825

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide (CID 43923085) is N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is GMWYQGHWTGLLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O/c20-15-5-3-13(4-6-15)11-24-9-1-2-14(12-24)19(25)23-16-7-8-18(22)17(21)10-16/h3-8,10,14H,1-2,9,11-12H2,(H,23,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 381.28 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43923085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).