N-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C24H30ClN3O — CID 11618461

IUPACN-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)C(N1CCN(C)CC1)CCC2)c1ccc(Cl)cc1
InChIInChI=1S/C24H30ClN3O/c1-17(18-8-10-21(25)11-9-18)26-24(29)20-7-6-19-4-3-5-23(22(19)16-20)28-14-12-27(2)13-15-28/h6-11,16-17,23H,3-5,12-15H2,1-2H3,(H,26,29)
InChIKeyJTGUPTURLBMFDQ-UHFFFAOYSA-N
MW411.98 g/mol
LogP4.46
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 11618461) has the molecular formula C24H30ClN3O and a molecular weight of 411.98 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID11618461
Molecular FormulaC24H30ClN3O
Molecular Weight411.98 g/mol
Exact Mass411.21
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)C(N1CCN(C)CC1)CCC2)c1ccc(Cl)cc1
InChIInChI=1S/C24H30ClN3O/c1-17(18-8-10-21(25)11-9-18)26-24(29)20-7-6-19-4-3-5-23(22(19)16-20)28-14-12-27(2)13-15-28/h6-11,16-17,23H,3-5,12-15H2,1-2H3,(H,26,29)
InChIKeyJTGUPTURLBMFDQ-UHFFFAOYSA-N
XLogP4.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.98
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide 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-(furan-2-ylmethyl)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 91247839
N-[(1R)-1-(4-chlorophenyl)ethyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 25489652
3-chloro-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzamide
CID 103221331
4-chloro-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125042505
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155339091
7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
CID 90876175
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 132666739
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
N-[(1S)-1-(4-ethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706676
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
CID 63524750
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 11618461) is N-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CC(NC(=O)c1ccc2c(c1)C(N1CCN(C)CC1)CCC2)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is JTGUPTURLBMFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O/c1-17(18-8-10-21(25)11-9-18)26-24(29)20-7-6-19-4-3-5-23(22(19)16-20)28-14-12-27(2)13-15-28/h6-11,16-17,23H,3-5,12-15H2,1-2H3,(H,26,29).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 411.98 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 11618461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).