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

C14H20Cl2N4O — CID 43080376

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

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

N-(2-amino-4,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide (PubChem CID 43080376) has the molecular formula C14H20Cl2N4O and a molecular weight of 331.25 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide
PubChem CID43080376
Molecular FormulaC14H20Cl2N4O
Molecular Weight331.25 g/mol
Exact Mass330.10
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1c(N)cc(Cl)cc1Cl)N1CCN(C)CC1
InChIInChI=1S/C14H20Cl2N4O/c1-9(20-5-3-19(2)4-6-20)14(21)18-13-11(16)7-10(15)8-12(13)17/h7-9H,3-6,17H2,1-2H3,(H,18,21)
InChIKeyVSMBBKCGZAIFNM-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 43079943
N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 43078334
N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 43080000
N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide
CID 16779290
N-(2-amino-4,6-dichlorophenyl)-2-[cyclopropyl(ethyl)amino]propanamide
CID 43263787
N-(2-amino-4,6-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide
CID 43125827
N-(2-amino-4,6-dichlorophenyl)-2-[butan-2-yl(ethyl)amino]propanamide
CID 43274116
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(2,4,6-trichlorophenyl)propanamide
CID 2537382
(2R)-N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274926
N-(2-amino-4-chlorophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide
CID 64681530
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
CID 2690225
N-(2-amino-4,6-dichlorophenyl)-2-[butyl(methyl)amino]propanamide
CID 43098984

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide (CID 43080376) is N-(2-amino-4,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide is CC(C(=O)Nc1c(N)cc(Cl)cc1Cl)N1CCN(C)CC1.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is VSMBBKCGZAIFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N4O/c1-9(20-5-3-19(2)4-6-20)14(21)18-13-11(16)7-10(15)8-12(13)17/h7-9H,3-6,17H2,1-2H3,(H,18,21).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide?
N-(2-amino-4,6-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-(2-amino-4,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 43080376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).