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

C21H27ClN4O — CID 109021431

IUPACN-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
SMILESCN1CCN(c2ccc(NCCC(=O)NCc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C21H27ClN4O/c1-25-12-14-26(15-13-25)19-8-6-18(7-9-19)23-11-10-21(27)24-16-17-4-2-3-5-20(17)22/h2-9,23H,10-16H2,1H3,(H,24,27)
InChIKeyANKFXGMVYOJKKE-UHFFFAOYSA-N
MW386.93 g/mol
LogP3.21
Rot. Bonds7

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

N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide (PubChem CID 109021431) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
PubChem CID109021431
Molecular FormulaC21H27ClN4O
Molecular Weight386.93 g/mol
Exact Mass386.19
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
SMILESCN1CCN(c2ccc(NCCC(=O)NCc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C21H27ClN4O/c1-25-12-14-26(15-13-25)19-8-6-18(7-9-19)23-11-10-21(27)24-16-17-4-2-3-5-20(17)22/h2-9,23H,10-16H2,1H3,(H,24,27)
InChIKeyANKFXGMVYOJKKE-UHFFFAOYSA-N
XLogP3.21
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]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-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109019204
N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109022061
N-(2-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109037833
N-tert-butyl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109031383
1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
CID 109017319
N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109016992
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251
3-[4-(4-methylpiperazin-1-yl)anilino]-N-propan-2-ylpropanamide
CID 109011692
N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110648111
N-[(2-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
CID 109021465
N-butan-2-yl-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109013029
N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037829

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide (CID 109021431) is N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide is CN1CCN(c2ccc(NCCC(=O)NCc3ccccc3Cl)cc2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
The InChIKey is ANKFXGMVYOJKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O/c1-25-12-14-26(15-13-25)19-8-6-18(7-9-19)23-11-10-21(27)24-16-17-4-2-3-5-20(17)22/h2-9,23H,10-16H2,1H3,(H,24,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide?
N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide has a molecular weight of 386.93 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide is sourced from PubChem (CID 109021431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).