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

C22H19Cl3N2O3 — CID 130288596

IUPACN-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide
SMILESCc1cc(C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)ccc1OCCO
InChIInChI=1S/C22H19Cl3N2O3/c1-13-10-15(3-7-20(13)30-9-8-28)22(29)27-21(19-6-4-16(23)12-26-19)14-2-5-17(24)18(25)11-14/h2-7,10-12,21,28H,8-9H2,1H3,(H,27,29)/t21-/m0/s1
InChIKeySYZZNFCKMZWUHW-NRFANRHFSA-N
MW465.76 g/mol
LogP5.24
Rot. Bonds7

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

N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide (PubChem CID 130288596) has the molecular formula C22H19Cl3N2O3 and a molecular weight of 465.76 g/mol. Its IUPAC name is N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide.

Molecular Properties

Compound NameN-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide
PubChem CID130288596
Molecular FormulaC22H19Cl3N2O3
Molecular Weight465.76 g/mol
Exact Mass464.05
IUPAC NameN-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide
SMILESCc1cc(C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)ccc1OCCO
InChIInChI=1S/C22H19Cl3N2O3/c1-13-10-15(3-7-20(13)30-9-8-28)22(29)27-21(19-6-4-16(23)12-26-19)14-2-5-17(24)18(25)11-14/h2-7,10-12,21,28H,8-9H2,1H3,(H,27,29)/t21-/m0/s1
InChIKeySYZZNFCKMZWUHW-NRFANRHFSA-N
XLogP5.24
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.76
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide
CID 145056345
N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide
CID 162164311
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide
CID 130288420
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-fluorobenzamide
CID 130288340
1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 145056400
N-[(R)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-4-cyano-3-methylbenzamide
CID 121264758
2-(3-chlorophenyl)-N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-oxopentanamide
CID 158750255
4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide
CID 130288181
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-isocyanothiophene-2-carboxamide
CID 140801895
N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3,5-difluorobenzamide
CID 130288434
N-[(2S)-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-hydroxy-1-oxopropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90062239
2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25386860

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide?
The IUPAC name of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide (CID 130288596) is N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide.
What is the SMILES notation for N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide?
The canonical SMILES for N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide is Cc1cc(C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)ccc1OCCO.
What is the InChIKey of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide?
The InChIKey is SYZZNFCKMZWUHW-NRFANRHFSA-N. The full InChI is InChI=1S/C22H19Cl3N2O3/c1-13-10-15(3-7-20(13)30-9-8-28)22(29)27-21(19-6-4-16(23)12-26-19)14-2-5-17(24)18(25)11-14/h2-7,10-12,21,28H,8-9H2,1H3,(H,27,29)/t21-/m0/s1.
What are the key properties of N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide?
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide has a molecular weight of 465.76 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide is sourced from PubChem (CID 130288596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).