4-[(4-chlorobenzoyl)amino]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide

C26H27ClN4O3 — CID 44532186

IUPAC4-[(4-chlorobenzoyl)amino]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C26H27ClN4O3/c1-30-13-15-31(16-14-30)23-17-22(11-12-24(23)34-2)29-26(33)19-5-9-21(10-6-19)28-25(32)18-3-7-20(27)8-4-18/h3-12,17H,13-16H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyKKCJIDNTTXGRGR-UHFFFAOYSA-N
MW478.98 g/mol
LogP4.61
Rot. Bonds6

About 4-[(4-chlorobenzoyl)amino]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide

4-[(4-chlorobenzoyl)amino]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 44532186) has the molecular formula C26H27ClN4O3 and a molecular weight of 478.98 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID44532186
Molecular FormulaC26H27ClN4O3
Molecular Weight478.98 g/mol
Exact Mass478.18
IUPAC Name4-[(4-chlorobenzoyl)amino]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C26H27ClN4O3/c1-30-13-15-31(16-14-30)23-17-22(11-12-24(23)34-2)29-26(33)19-5-9-21(10-6-19)28-25(32)18-3-7-20(27)8-4-18/h3-12,17H,13-16H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyKKCJIDNTTXGRGR-UHFFFAOYSA-N
XLogP4.61
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 44532186) is 4-[(4-chlorobenzoyl)amino]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1N1CCN(C)CC1.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is KKCJIDNTTXGRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O3/c1-30-13-15-31(16-14-30)23-17-22(11-12-24(23)34-2)29-26(33)19-5-9-21(10-6-19)28-25(32)18-3-7-20(27)8-4-18/h3-12,17H,13-16H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of 4-[(4-chlorobenzoyl)amino]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide?
4-[(4-chlorobenzoyl)amino]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 478.98 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 44532186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).