N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide

C19H21ClFN3O — CID 120756501

IUPACN-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCNCC1c1cccc(F)c1)NCc1cccc(Cl)c1
InChIInChI=1S/C19H21ClFN3O/c20-16-5-1-3-14(9-16)11-23-19(25)13-24-8-7-22-12-18(24)15-4-2-6-17(21)10-15/h1-6,9-10,18,22H,7-8,11-13H2,(H,23,25)
InChIKeyGPJUJWBLIPXZDS-UHFFFAOYSA-N
MW361.85 g/mol
LogP2.74
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide

N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 120756501) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID120756501
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCNCC1c1cccc(F)c1)NCc1cccc(Cl)c1
InChIInChI=1S/C19H21ClFN3O/c20-16-5-1-3-14(9-16)11-23-19(25)13-24-8-7-22-12-18(24)15-4-2-6-17(21)10-15/h1-6,9-10,18,22H,7-8,11-13H2,(H,23,25)
InChIKeyGPJUJWBLIPXZDS-UHFFFAOYSA-N
XLogP2.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120771028
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 120757042
N-[2-(4-fluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756211
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 120771238
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
CID 120756453
N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757002
N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756950
N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757048
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride
CID 120771117
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
N-[2-(2,6-difluorophenyl)ethyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757114

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide (CID 120756501) is N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide is O=C(CN1CCNCC1c1cccc(F)c1)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is GPJUJWBLIPXZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c20-16-5-1-3-14(9-16)11-23-19(25)13-24-8-7-22-12-18(24)15-4-2-6-17(21)10-15/h1-6,9-10,18,22H,7-8,11-13H2,(H,23,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide?
N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 361.85 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 120756501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).