4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

C23H28ClN3O — CID 18622549

IUPAC4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESCc1ccc(N2CCN(C)CC2)c2c1CCC(NC(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C23H28ClN3O/c1-16-3-10-22(27-13-11-26(2)12-14-27)21-15-19(8-9-20(16)21)25-23(28)17-4-6-18(24)7-5-17/h3-7,10,19H,8-9,11-15H2,1-2H3,(H,25,28)
InChIKeyPEKBTVBHUWRNPL-UHFFFAOYSA-N
MW397.95 g/mol
LogP3.69
Rot. Bonds3

About 4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (PubChem CID 18622549) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is 4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
PubChem CID18622549
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC Name4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESCc1ccc(N2CCN(C)CC2)c2c1CCC(NC(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C23H28ClN3O/c1-16-3-10-22(27-13-11-26(2)12-14-27)21-15-19(8-9-20(16)21)25-23(28)17-4-6-18(24)7-5-17/h3-7,10,19H,8-9,11-15H2,1-2H3,(H,25,28)
InChIKeyPEKBTVBHUWRNPL-UHFFFAOYSA-N
XLogP3.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18475734
N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide
CID 54551314
2-methyl-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 54135218
2-methyl-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18475786
N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide
CID 24762774
4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 54131278
N-[(2R)-5-methyl-8-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzamide
CID 25061082
4-ethyl-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 24763183
[4-[[(2S)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoyl]phenyl] trifluoromethanesulfonate
CID 25055227
N-[(1R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-morpholin-4-ylbenzamide
CID 150354881
5-(benzenesulfonyl)-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide
CID 24762854
4-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide
CID 112532941

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (CID 18622549) is 4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is Cc1ccc(N2CCN(C)CC2)c2c1CCC(NC(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of 4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The InChIKey is PEKBTVBHUWRNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O/c1-16-3-10-22(27-13-11-26(2)12-14-27)21-15-19(8-9-20(16)21)25-23(28)17-4-6-18(24)7-5-17/h3-7,10,19H,8-9,11-15H2,1-2H3,(H,25,28).
What are the key properties of 4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide has a molecular weight of 397.95 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 18622549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).