N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide

C19H19Cl2FN2O — CID 10134420

IUPACN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H19Cl2FN2O/c20-17-6-1-13(11-18(17)21)12-24-9-7-16(8-10-24)23-19(25)14-2-4-15(22)5-3-14/h1-6,11,16H,7-10,12H2,(H,23,25)
InChIKeyHKQPWRJGKXBDSG-UHFFFAOYSA-N
MW381.28 g/mol
LogP4.53
Rot. Bonds4

About N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide (PubChem CID 10134420) has the molecular formula C19H19Cl2FN2O and a molecular weight of 381.28 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
PubChem CID10134420
Molecular FormulaC19H19Cl2FN2O
Molecular Weight381.28 g/mol
Exact Mass380.09
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H19Cl2FN2O/c20-17-6-1-13(11-18(17)21)12-24-9-7-16(8-10-24)23-19(25)14-2-4-15(22)5-3-14/h1-6,11,16H,7-10,12H2,(H,23,25)
InChIKeyHKQPWRJGKXBDSG-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide
CID 119883504
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide
CID 10200703
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 74232856
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55959686
3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 24964486
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55959532
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55835804
N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 34796702
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716
4-[[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]methyl]benzoic acid
CID 122031321

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide (CID 10134420) is N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide is O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is HKQPWRJGKXBDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O/c20-17-6-1-13(11-18(17)21)12-24-9-7-16(8-10-24)23-19(25)14-2-4-15(22)5-3-14/h1-6,11,16H,7-10,12H2,(H,23,25).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide?
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 381.28 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 10134420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).