N-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide

C14H19Cl2N3O — CID 110864352

IUPACN-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-18-7-9-19(10-8-18)6-5-13(20)17-12-4-2-3-11(15)14(12)16/h2-4H,5-10H2,1H3,(H,17,20)
InChIKeyXDLZDHBACAOZGK-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.57
Rot. Bonds4

About N-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide

N-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 110864352) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID110864352
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC NameN-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-18-7-9-19(10-8-18)6-5-13(20)17-12-4-2-3-11(15)14(12)16/h2-4H,5-10H2,1H3,(H,17,20)
InChIKeyXDLZDHBACAOZGK-UHFFFAOYSA-N
XLogP2.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide
CID 109018090
ethyl 4-[3-(2,3-dichloroanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 109029198
N-(4-chloro-1-methylindazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide
CID 162635235
3-(4-methylpiperazin-1-yl)-N-[2-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]propanamide
CID 10697396
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
2,3-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 79016629
3-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)propanamide;oxalic acid
CID 171154314
N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
N-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;oxalic acid
CID 171154325

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide (CID 110864352) is N-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide is CN1CCN(CCC(=O)Nc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of N-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is XDLZDHBACAOZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-18-7-9-19(10-8-18)6-5-13(20)17-12-4-2-3-11(15)14(12)16/h2-4H,5-10H2,1H3,(H,17,20).
What are the key properties of N-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide?
N-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 316.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 110864352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).