3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide

C23H28N4O2 — CID 55669195

IUPAC3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)Nc2ccccc2N2CCN(C)CC2)c1
InChIInChI=1S/C23H28N4O2/c1-16-14-19(16)23(29)24-18-7-5-6-17(15-18)22(28)25-20-8-3-4-9-21(20)27-12-10-26(2)11-13-27/h3-9,15-16,19H,10-14H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyZOAWYKRKRPTLJX-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.29
Rot. Bonds5

About 3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide

3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 55669195) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID55669195
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)Nc2ccccc2N2CCN(C)CC2)c1
InChIInChI=1S/C23H28N4O2/c1-16-14-19(16)23(29)24-18-7-5-6-17(15-18)22(28)25-20-8-3-4-9-21(20)27-12-10-26(2)11-13-27/h3-9,15-16,19H,10-14H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyZOAWYKRKRPTLJX-UHFFFAOYSA-N
XLogP3.29
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56517981
N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39889326
N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 95568631
3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 57327062
N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55359411
4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 55359299
N-(2,4-difluorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38764784
N-[3-chloro-2-(dimethylamino)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55763063
trans-(1S,2S)-2-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 25344418
3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide
CID 94151705
N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 52523750
3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 57327086

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 55669195) is 3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide is CC1CC1C(=O)Nc1cccc(C(=O)Nc2ccccc2N2CCN(C)CC2)c1.
What is the InChIKey of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is ZOAWYKRKRPTLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16-14-19(16)23(29)24-18-7-5-6-17(15-18)22(28)25-20-8-3-4-9-21(20)27-12-10-26(2)11-13-27/h3-9,15-16,19H,10-14H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide?
3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 55669195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).