N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-hydroxy-3-methylbenzamide

C20H15Cl3N2O2 — CID 130288515

IUPACN-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)ccc1O
InChIInChI=1S/C20H15Cl3N2O2/c1-11-8-13(3-7-18(11)26)20(27)25-19(17-6-4-14(21)10-24-17)12-2-5-15(22)16(23)9-12/h2-10,19,26H,1H3,(H,25,27)/t19-/m0/s1
InChIKeyWHIDMVZTEPZVKD-IBGZPJMESA-N
MW421.71 g/mol
LogP5.58
Rot. Bonds4

About N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-hydroxy-3-methylbenzamide

N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-hydroxy-3-methylbenzamide (PubChem CID 130288515) has the molecular formula C20H15Cl3N2O2 and a molecular weight of 421.71 g/mol. Its IUPAC name is N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-hydroxy-3-methylbenzamide
PubChem CID130288515
Molecular FormulaC20H15Cl3N2O2
Molecular Weight421.71 g/mol
Exact Mass420.02
IUPAC NameN-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)ccc1O
InChIInChI=1S/C20H15Cl3N2O2/c1-11-8-13(3-7-18(11)26)20(27)25-19(17-6-4-14(21)10-24-17)12-2-5-15(22)16(23)9-12/h2-10,19,26H,1H3,(H,25,27)/t19-/m0/s1
InChIKeyWHIDMVZTEPZVKD-IBGZPJMESA-N
XLogP5.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.71
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

US10323029, Generic formula 52505 IB
CID 130288501
[3-(4-Chlorophenyl)-5-(4-hydroxy-3-methyl-phenyl)-3,4-dihydropyrazol-2-yl]-(4-pyridyl)methanone
CID 135541361
US10323029, Generic formula 52552 IB
CID 130288177
US10323029, Generic formula 52475 IB
CID 130288500
US10323029, Generic formula 52504 IB
CID 130289289
US10323029, Generic formula 52508 IB
CID 130289290
US10323029, Generic formula 52551 IB
CID 130289297
N-(2-acetamidoethyl)-6-(4-chlorophenyl)-5-(4-hydroxyphenyl)pyridine-3-carboxamide
CID 172433728
US10323029, Generic formula 52509 IB
CID 130288596
N-(2-picolyl)-3,5-dimethyl-4-hydroxy-benzamide
CID 57449980
3-chloro-2-hydroxy-5-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 71864110
[3-(4-Chlorophenyl)-5-(4-hydroxy-3-methylphenyl)-1,3-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
CID 76316255

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-hydroxy-3-methylbenzamide (CID 130288515) is N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)ccc1O.
What is the InChIKey of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-hydroxy-3-methylbenzamide?
The InChIKey is WHIDMVZTEPZVKD-IBGZPJMESA-N. The full InChI is InChI=1S/C20H15Cl3N2O2/c1-11-8-13(3-7-18(11)26)20(27)25-19(17-6-4-14(21)10-24-17)12-2-5-15(22)16(23)9-12/h2-10,19,26H,1H3,(H,25,27)/t19-/m0/s1.
What are the key properties of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-hydroxy-3-methylbenzamide?
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-hydroxy-3-methylbenzamide has a molecular weight of 421.71 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 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]-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 130288515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).