N-[3-chloro-4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]phenyl]acetamide

C17H23ClFN3O — CID 169148866

IUPACN-[3-chloro-4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCC(N3CCC(F)C3)CC2)c(Cl)c1
InChIInChI=1S/C17H23ClFN3O/c1-12(23)20-14-2-3-17(16(18)10-14)21-8-5-15(6-9-21)22-7-4-13(19)11-22/h2-3,10,13,15H,4-9,11H2,1H3,(H,20,23)
InChIKeySNBKZCSJOIXXIB-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.31
Rot. Bonds3

About N-[3-chloro-4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]phenyl]acetamide

N-[3-chloro-4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]phenyl]acetamide (PubChem CID 169148866) has the molecular formula C17H23ClFN3O and a molecular weight of 339.84 g/mol. Its IUPAC name is N-[3-chloro-4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]phenyl]acetamide
PubChem CID169148866
Molecular FormulaC17H23ClFN3O
Molecular Weight339.84 g/mol
Exact Mass339.15
IUPAC NameN-[3-chloro-4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCC(N3CCC(F)C3)CC2)c(Cl)c1
InChIInChI=1S/C17H23ClFN3O/c1-12(23)20-14-2-3-17(16(18)10-14)21-8-5-15(6-9-21)22-7-4-13(19)11-22/h2-3,10,13,15H,4-9,11H2,1H3,(H,20,23)
InChIKeySNBKZCSJOIXXIB-UHFFFAOYSA-N
XLogP3.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.31
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

N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 2995453
4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline
CID 169149133
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone
CID 55130715
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide
CID 17102767
[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 141195641
N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 6461156
N-[4-[(3-chloro-4-piperidin-1-ylphenyl)carbamoyl-sulfanylamino]phenyl]acetamide
CID 57178259
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334956
3,4-dichloro-N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 17110231
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide
CID 17102771
(2S)-2-chloro-N-(3-chloro-4-pyrrolidin-1-ylphenyl)propanamide
CID 51670700

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-chloro-4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]phenyl]acetamide (CID 169148866) is N-[3-chloro-4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-chloro-4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-chloro-4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2CCC(N3CCC(F)C3)CC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]phenyl]acetamide?
The InChIKey is SNBKZCSJOIXXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFN3O/c1-12(23)20-14-2-3-17(16(18)10-14)21-8-5-15(6-9-21)22-7-4-13(19)11-22/h2-3,10,13,15H,4-9,11H2,1H3,(H,20,23).
What are the key properties of N-[3-chloro-4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]phenyl]acetamide?
N-[3-chloro-4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]phenyl]acetamide has a molecular weight of 339.84 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 169148866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).