2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

C24H26N4O — CID 155987750

IUPAC2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccccc3Nc3ccccc3)cc2)CC1
InChIInChI=1S/C24H26N4O/c1-27-15-17-28(18-16-27)21-13-11-20(12-14-21)26-24(29)22-9-5-6-10-23(22)25-19-7-3-2-4-8-19/h2-14,25H,15-18H2,1H3,(H,26,29)
InChIKeyBSCRHTTWBMBGBE-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.43
Rot. Bonds5

About 2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 155987750) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID155987750
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccccc3Nc3ccccc3)cc2)CC1
InChIInChI=1S/C24H26N4O/c1-27-15-17-28(18-16-27)21-13-11-20(12-14-21)26-24(29)22-9-5-6-10-23(22)25-19-7-3-2-4-8-19/h2-14,25H,15-18H2,1H3,(H,26,29)
InChIKeyBSCRHTTWBMBGBE-UHFFFAOYSA-N
XLogP4.43
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.43
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

6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide
CID 109126707
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 17444689
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide
CID 50946132
2-ethylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53285947
4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218895
2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 30857280
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide
CID 1056962
N-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide
CID 118723665
N-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110862549
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849662
phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 4552577

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 155987750) is 2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is CN1CCN(c2ccc(NC(=O)c3ccccc3Nc3ccccc3)cc2)CC1.
What is the InChIKey of 2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is BSCRHTTWBMBGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-27-15-17-28(18-16-27)21-13-11-20(12-14-21)26-24(29)22-9-5-6-10-23(22)25-19-7-3-2-4-8-19/h2-14,25H,15-18H2,1H3,(H,26,29).
What are the key properties of 2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 386.50 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 155987750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).