N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide

C14H20Cl2N4O — CID 43079943

IUPACN-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1c(Cl)cc(N)cc1Cl)N1CCN(C)CC1
InChIInChI=1S/C14H20Cl2N4O/c1-9(20-5-3-19(2)4-6-20)14(21)18-13-11(15)7-10(17)8-12(13)16/h7-9H,3-6,17H2,1-2H3,(H,18,21)
InChIKeyKKAHUAUSJPPOSC-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.15
Rot. Bonds3

About N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide

N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide (PubChem CID 43079943) has the molecular formula C14H20Cl2N4O and a molecular weight of 331.25 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide
PubChem CID43079943
Molecular FormulaC14H20Cl2N4O
Molecular Weight331.25 g/mol
Exact Mass330.10
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1c(Cl)cc(N)cc1Cl)N1CCN(C)CC1
InChIInChI=1S/C14H20Cl2N4O/c1-9(20-5-3-19(2)4-6-20)14(21)18-13-11(15)7-10(17)8-12(13)16/h7-9H,3-6,17H2,1-2H3,(H,18,21)
InChIKeyKKAHUAUSJPPOSC-UHFFFAOYSA-N
XLogP2.15
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 43080000
N-(2-amino-4,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 43080376
(2R)-N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274926
N-(4-amino-2,6-dichlorophenyl)-2-methoxypropanamide
CID 16782940
N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide
CID 16787449
N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide
CID 16786642
N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 61036168
N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide
CID 61036183
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide
CID 61302841
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 61421371
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(2,4,6-trichlorophenyl)propanamide
CID 2537382
N-(4-amino-2-chlorophenyl)-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372592

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide (CID 43079943) is N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide is CC(C(=O)Nc1c(Cl)cc(N)cc1Cl)N1CCN(C)CC1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is KKAHUAUSJPPOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N4O/c1-9(20-5-3-19(2)4-6-20)14(21)18-13-11(15)7-10(17)8-12(13)16/h7-9H,3-6,17H2,1-2H3,(H,18,21).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide?
N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 331.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 43079943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).