N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide

C20H25ClN4O — CID 109037833

IUPACN-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
SMILESCN1CCN(c2ccc(NCCC(=O)Nc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C20H25ClN4O/c1-24-12-14-25(15-13-24)17-8-6-16(7-9-17)22-11-10-20(26)23-19-5-3-2-4-18(19)21/h2-9,22H,10-15H2,1H3,(H,23,26)
InChIKeyWVVDDKFIUPSLIN-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.53
Rot. Bonds6

About N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide

N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide (PubChem CID 109037833) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
PubChem CID109037833
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC NameN-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
SMILESCN1CCN(c2ccc(NCCC(=O)Nc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C20H25ClN4O/c1-24-12-14-25(15-13-24)17-8-6-16(7-9-17)22-11-10-20(26)23-19-5-3-2-4-18(19)21/h2-9,22H,10-15H2,1H3,(H,23,26)
InChIKeyWVVDDKFIUPSLIN-UHFFFAOYSA-N
XLogP3.53
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037829
N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109021431
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109035128
N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041798
methyl 2-[[3-[4-(4-methylpiperazin-1-yl)anilino]-3-oxopropyl]amino]benzoate
CID 109041344
N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109031383
3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037798
N-(3-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109040894
3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide
CID 109011692
N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109039758
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide (CID 109037833) is N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide is CN1CCN(c2ccc(NCCC(=O)Nc3ccccc3Cl)cc2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The InChIKey is WVVDDKFIUPSLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-24-12-14-25(15-13-24)17-8-6-16(7-9-17)22-11-10-20(26)23-19-5-3-2-4-18(19)21/h2-9,22H,10-15H2,1H3,(H,23,26).
What are the key properties of N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide has a molecular weight of 372.90 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide is sourced from PubChem (CID 109037833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).