N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide

C20H23ClFN3O — CID 18196017

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23ClFN3O/c1-24-10-12-25(13-11-24)19-8-5-16(21)14-18(19)23-20(26)9-4-15-2-6-17(22)7-3-15/h2-3,5-8,14H,4,9-13H2,1H3,(H,23,26)
InChIKeyIPTZKDGDPCKOOW-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.80
Rot. Bonds5

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide (PubChem CID 18196017) has the molecular formula C20H23ClFN3O and a molecular weight of 375.88 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide
PubChem CID18196017
Molecular FormulaC20H23ClFN3O
Molecular Weight375.88 g/mol
Exact Mass375.15
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H23ClFN3O/c1-24-10-12-25(13-11-24)19-8-5-16(21)14-18(19)23-20(26)9-4-15-2-6-17(22)7-3-15/h2-3,5-8,14H,4,9-13H2,1H3,(H,23,26)
InChIKeyIPTZKDGDPCKOOW-UHFFFAOYSA-N
XLogP3.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 18082342
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16566612
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide
CID 60554347
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534808
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide
CID 7892322
2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
CID 35355092
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 35357364
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide
CID 55757427
3-(1,3-benzodioxol-5-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)propanamide
CID 16574876
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806049
N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27828142
2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 168520629

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide (CID 18196017) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide is CN1CCN(c2ccc(Cl)cc2NC(=O)CCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is IPTZKDGDPCKOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O/c1-24-10-12-25(13-11-24)19-8-5-16(21)14-18(19)23-20(26)9-4-15-2-6-17(22)7-3-15/h2-3,5-8,14H,4,9-13H2,1H3,(H,23,26).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 375.88 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 18196017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).