N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide

C19H21ClFN3O — CID 2901592

IUPACN-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(c2ccccc2F)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H21ClFN3O/c20-15-4-3-5-16(14-15)22-19(25)8-9-23-10-12-24(13-11-23)18-7-2-1-6-17(18)21/h1-7,14H,8-13H2,(H,22,25)
InChIKeyFUIYVVXHDGGTDY-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.63
Rot. Bonds5

About N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide

N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 2901592) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID2901592
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC NameN-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(c2ccccc2F)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H21ClFN3O/c20-15-4-3-5-16(14-15)22-19(25)8-9-23-10-12-24(13-11-23)18-7-2-1-6-17(18)21/h1-7,14H,8-13H2,(H,22,25)
InChIKeyFUIYVVXHDGGTDY-UHFFFAOYSA-N
XLogP3.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 740647
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 771783
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid
CID 171154645
N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 109029942
N'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269136
methyl 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109029946
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide
CID 7027960
N-(3-chlorophenyl)-3-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]propanamide
CID 60500646
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
methyl 4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109029947
N-(3-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014570

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide (CID 2901592) is N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide is O=C(CCN1CCN(c2ccccc2F)CC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is FUIYVVXHDGGTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c20-15-4-3-5-16(14-15)22-19(25)8-9-23-10-12-24(13-11-23)18-7-2-1-6-17(18)21/h1-7,14H,8-13H2,(H,22,25).
What are the key properties of N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 361.85 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 2901592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).