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

C19H20ClF2N3O — CID 51167962

IUPACN-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1Cl)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20ClF2N3O/c1-13(19(26)23-18-7-4-15(22)12-17(18)20)24-8-10-25(11-9-24)16-5-2-14(21)3-6-16/h2-7,12-13H,8-11H2,1H3,(H,23,26)
InChIKeyUANZBLVLDYESIW-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.77
Rot. Bonds4

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

N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 51167962) has the molecular formula C19H20ClF2N3O and a molecular weight of 379.84 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID51167962
Molecular FormulaC19H20ClF2N3O
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1Cl)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20ClF2N3O/c1-13(19(26)23-18-7-4-15(22)12-17(18)20)24-8-10-25(11-9-24)16-5-2-14(21)3-6-16/h2-7,12-13H,8-11H2,1H3,(H,23,26)
InChIKeyUANZBLVLDYESIW-UHFFFAOYSA-N
XLogP3.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019504
N-(2,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46800951
N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 86968144
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431500
(2R)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431310
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride
CID 120569030
(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 41038243
N-(2-chloro-4-fluorophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide
CID 55351442
(2R)-N-(2-chloro-4-fluorophenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 8774044
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide
CID 7858169
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 9444961

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (CID 51167962) is N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is CC(C(=O)Nc1ccc(F)cc1Cl)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is UANZBLVLDYESIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N3O/c1-13(19(26)23-18-7-4-15(22)12-17(18)20)24-8-10-25(11-9-24)16-5-2-14(21)3-6-16/h2-7,12-13H,8-11H2,1H3,(H,23,26).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 379.84 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 51167962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).