5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide

C23H24ClN3O — CID 2949855

IUPAC5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1
InChIInChI=1S/C23H24ClN3O/c1-2-26-13-15-27(16-14-26)18-11-9-17(10-12-18)25-23(28)21-7-3-6-20-19(21)5-4-8-22(20)24/h3-12H,2,13-16H2,1H3,(H,25,28)
InChIKeyGAYBOKIUUBGTRG-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.89
Rot. Bonds4

About 5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide

5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 2949855) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
PubChem CID2949855
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1
InChIInChI=1S/C23H24ClN3O/c1-2-26-13-15-27(16-14-26)18-11-9-17(10-12-18)25-23(28)21-7-3-6-20-19(21)5-4-8-22(20)24/h3-12H,2,13-16H2,1H3,(H,25,28)
InChIKeyGAYBOKIUUBGTRG-UHFFFAOYSA-N
XLogP4.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7342466
5-chloro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 3266339
5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 4653783
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
2-chloro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 1252414
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2,6-dichlorobenzoate
CID 16624736
(2R,3S)-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 40796122
5-chloro-N-[[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 17334641
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 1048483
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-hydroxy-5-methylbenzamide
CID 17403854
N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide
CID 91676128
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide (CID 2949855) is 5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide is CCN1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1.
What is the InChIKey of 5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is GAYBOKIUUBGTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-2-26-13-15-27(16-14-26)18-11-9-17(10-12-18)25-23(28)21-7-3-6-20-19(21)5-4-8-22(20)24/h3-12H,2,13-16H2,1H3,(H,25,28).
What are the key properties of 5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 393.92 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 2949855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).