5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide

C22H20Cl2N2O — CID 29244386

IUPAC5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccc2c(Cl)cccc12
InChIInChI=1S/C22H20Cl2N2O/c23-19-9-5-6-16-17(19)7-4-8-18(16)22(27)25-15-10-11-21(20(24)14-15)26-12-2-1-3-13-26/h4-11,14H,1-3,12-13H2,(H,25,27)
InChIKeyPPNADDBKORDTKE-UHFFFAOYSA-N
MW399.32 g/mol
LogP6.39
Rot. Bonds3

About 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide

5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide (PubChem CID 29244386) has the molecular formula C22H20Cl2N2O and a molecular weight of 399.32 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide
PubChem CID29244386
Molecular FormulaC22H20Cl2N2O
Molecular Weight399.32 g/mol
Exact Mass398.10
IUPAC Name5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccc2c(Cl)cccc12
InChIInChI=1S/C22H20Cl2N2O/c23-19-9-5-6-16-17(19)7-4-8-18(16)22(27)25-15-10-11-21(20(24)14-15)26-12-2-1-3-13-26/h4-11,14H,1-3,12-13H2,(H,25,27)
InChIKeyPPNADDBKORDTKE-UHFFFAOYSA-N
XLogP6.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.32
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide
CID 1220386
5-chloro-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
CID 17358577
5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide
CID 17102027
N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 1333473
2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1063788
5-bromo-N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
CID 17050000
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 6461050
5-chloro-N-(3,5-dichlorophenyl)naphthalene-1-carboxamide
CID 17102050
5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 1007459
5-chloro-N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 3282884
N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55884883
N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42756994

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide (CID 29244386) is 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide is O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccc2c(Cl)cccc12.
What is the InChIKey of 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide?
The InChIKey is PPNADDBKORDTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O/c23-19-9-5-6-16-17(19)7-4-8-18(16)22(27)25-15-10-11-21(20(24)14-15)26-12-2-1-3-13-26/h4-11,14H,1-3,12-13H2,(H,25,27).
What are the key properties of 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide?
5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide has a molecular weight of 399.32 g/mol, XLogP of 6.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 29244386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).