N-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide

C20H24ClN3O2 — CID 131921673

IUPACN-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Oc2ccccc2Cl)cc1)N1CCN(C)CC1
InChIInChI=1S/C20H24ClN3O2/c1-15(24-13-11-23(2)12-14-24)20(25)22-16-7-9-17(10-8-16)26-19-6-4-3-5-18(19)21/h3-10,15H,11-14H2,1-2H3,(H,22,25)
InChIKeyRAHPPBFMLKLYBR-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.71
Rot. Bonds5

About N-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide

N-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide (PubChem CID 131921673) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide
PubChem CID131921673
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Oc2ccccc2Cl)cc1)N1CCN(C)CC1
InChIInChI=1S/C20H24ClN3O2/c1-15(24-13-11-23(2)12-14-24)20(25)22-16-7-9-17(10-8-16)26-19-6-4-3-5-18(19)21/h3-10,15H,11-14H2,1-2H3,(H,22,25)
InChIKeyRAHPPBFMLKLYBR-UHFFFAOYSA-N
XLogP3.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide
CID 41123999
N-[1-[4-(2-chlorophenoxy)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46682677
(2R)-2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 31375794
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 42858816
(2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 2399708
(2S)-2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 42426694
2-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 4932050
(2S)-N-[4-(2-chlorophenoxy)phenyl]-3-methyl-2-(1,2,4-triazol-1-yl)butanamide
CID 51962425
2-(4-methylpiperazin-1-yl)-N-(6-methylsulfanyl-3-pyridinyl)propanamide
CID 75371060
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 8704511
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide (CID 131921673) is N-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide is CC(C(=O)Nc1ccc(Oc2ccccc2Cl)cc1)N1CCN(C)CC1.
What is the InChIKey of N-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is RAHPPBFMLKLYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-15(24-13-11-23(2)12-14-24)20(25)22-16-7-9-17(10-8-16)26-19-6-4-3-5-18(19)21/h3-10,15H,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide?
N-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 373.88 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 131921673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).