4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)benzamide

C20H15Cl3N2O2 — CID 168853789

IUPAC4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1O)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl3N2O2/c21-15-4-3-14(18(23)8-15)12-25(11-13-2-1-7-24-10-13)20(27)17-6-5-16(22)9-19(17)26/h1-10,26H,11-12H2
InChIKeyLESMAWDPGRVNQW-UHFFFAOYSA-N
MW421.71 g/mol
LogP5.59
Rot. Bonds5

About 4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)benzamide

4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 168853789) has the molecular formula C20H15Cl3N2O2 and a molecular weight of 421.71 g/mol. Its IUPAC name is 4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID168853789
Molecular FormulaC20H15Cl3N2O2
Molecular Weight421.71 g/mol
Exact Mass420.02
IUPAC Name4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1O)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl3N2O2/c21-15-4-3-14(18(23)8-15)12-25(11-13-2-1-7-24-10-13)20(27)17-6-5-16(22)9-19(17)26/h1-10,26H,11-12H2
InChIKeyLESMAWDPGRVNQW-UHFFFAOYSA-N
XLogP5.59
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.71
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)benzamide (CID 168853789) is 4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)benzamide is O=C(c1ccc(Cl)cc1O)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is LESMAWDPGRVNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3N2O2/c21-15-4-3-14(18(23)8-15)12-25(11-13-2-1-7-24-10-13)20(27)17-6-5-16(22)9-19(17)26/h1-10,26H,11-12H2.
What are the key properties of 4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 421.71 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-hydroxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 168853789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).