N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide

C15H23ClN4O — CID 16779496

IUPACN-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide
SMILESCN1CCN(CCCC(=O)Nc2ccc(Cl)cc2N)CC1
InChIInChI=1S/C15H23ClN4O/c1-19-7-9-20(10-8-19)6-2-3-15(21)18-14-5-4-12(16)11-13(14)17/h4-5,11H,2-3,6-10,17H2,1H3,(H,18,21)
InChIKeyNTDWFBXYWGKMPP-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.89
Rot. Bonds5

About N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide

N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide (PubChem CID 16779496) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide
PubChem CID16779496
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC NameN-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide
SMILESCN1CCN(CCCC(=O)Nc2ccc(Cl)cc2N)CC1
InChIInChI=1S/C15H23ClN4O/c1-19-7-9-20(10-8-19)6-2-3-15(21)18-14-5-4-12(16)11-13(14)17/h4-5,11H,2-3,6-10,17H2,1H3,(H,18,21)
InChIKeyNTDWFBXYWGKMPP-UHFFFAOYSA-N
XLogP1.89
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.89
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-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43372578
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 109017439
N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide
CID 16778868
methyl 4-(2-amino-4-chloroanilino)-4-oxobutanoate
CID 175254190
N-(2-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62490811
N-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
CID 16778792
N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879448
N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63693562
N-(2-amino-4-chlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779484
N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide
CID 28556237
N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264571
N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide
CID 43373835

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide (CID 16779496) is N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide is CN1CCN(CCCC(=O)Nc2ccc(Cl)cc2N)CC1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide?
The InChIKey is NTDWFBXYWGKMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-19-7-9-20(10-8-19)6-2-3-15(21)18-14-5-4-12(16)11-13(14)17/h4-5,11H,2-3,6-10,17H2,1H3,(H,18,21).
What are the key properties of N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide?
N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide has a molecular weight of 310.83 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide is sourced from PubChem (CID 16779496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).