N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide

C23H17Cl3N2O2 — CID 130288136

IUPACN-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide
SMILESO=C(N[C@@H](c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cn1)c1ccc2c(c1)CCCC2=O
InChIInChI=1S/C23H17Cl3N2O2/c24-16-6-9-20(27-12-16)22(14-5-8-18(25)19(26)11-14)28-23(30)15-4-7-17-13(10-15)2-1-3-21(17)29/h4-12,22H,1-3H2,(H,28,30)/t22-/m0/s1
InChIKeyWABNOWPTWILWLZ-QFIPXVFZSA-N
MW459.76 g/mol
LogP6.08
Rot. Bonds4

About N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide

N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide (PubChem CID 130288136) has the molecular formula C23H17Cl3N2O2 and a molecular weight of 459.76 g/mol. Its IUPAC name is N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide
PubChem CID130288136
Molecular FormulaC23H17Cl3N2O2
Molecular Weight459.76 g/mol
Exact Mass458.04
IUPAC NameN-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide
SMILESO=C(N[C@@H](c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cn1)c1ccc2c(c1)CCCC2=O
InChIInChI=1S/C23H17Cl3N2O2/c24-16-6-9-20(27-12-16)22(14-5-8-18(25)19(26)11-14)28-23(30)15-4-7-17-13(10-15)2-1-3-21(17)29/h4-12,22H,1-3H2,(H,28,30)/t22-/m0/s1
InChIKeyWABNOWPTWILWLZ-QFIPXVFZSA-N
XLogP6.08
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.76
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide?
The IUPAC name of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide (CID 130288136) is N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide.
What is the SMILES notation for N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide?
The canonical SMILES for N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide is O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cn1)c1ccc2c(c1)CCCC2=O.
What is the InChIKey of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide?
The InChIKey is WABNOWPTWILWLZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H17Cl3N2O2/c24-16-6-9-20(27-12-16)22(14-5-8-18(25)19(26)11-14)28-23(30)15-4-7-17-13(10-15)2-1-3-21(17)29/h4-12,22H,1-3H2,(H,28,30)/t22-/m0/s1.
What are the key properties of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide?
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide has a molecular weight of 459.76 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide is sourced from PubChem (CID 130288136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).