N-[(3,5-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide

C20H15Cl2FN2O2 — CID 168853691

IUPACN-[(3,5-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(O)c(F)c1)N(Cc1cccnc1)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H15Cl2FN2O2/c21-16-6-14(7-17(22)9-16)12-25(11-13-2-1-5-24-10-13)20(27)15-3-4-19(26)18(23)8-15/h1-10,26H,11-12H2
InChIKeyAKSXUWKYTSJCIL-UHFFFAOYSA-N
MW405.26 g/mol
LogP5.08
Rot. Bonds5

About N-[(3,5-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide

N-[(3,5-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 168853691) has the molecular formula C20H15Cl2FN2O2 and a molecular weight of 405.26 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID168853691
Molecular FormulaC20H15Cl2FN2O2
Molecular Weight405.26 g/mol
Exact Mass404.05
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(O)c(F)c1)N(Cc1cccnc1)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H15Cl2FN2O2/c21-16-6-14(7-17(22)9-16)12-25(11-13-2-1-5-24-10-13)20(27)15-3-4-19(26)18(23)8-15/h1-10,26H,11-12H2
InChIKeyAKSXUWKYTSJCIL-UHFFFAOYSA-N
XLogP5.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.26
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US20230278981, Example 137
CID 163301044
US20230278981, Example 13
CID 163301066
US20230278981, Example 80
CID 163301143
(3,5-Dichloro-4-hydroxyphenyl)-pyrrolo[3,2-c]pyridin-1-ylmethanone
CID 166063502
3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide
CID 118740684
3,5-dichloro-N-[3-[(2-chloro-3-pyridinyl)methyl]-4-oxoquinazolin-5-yl]-4-hydroxybenzamide
CID 169045429
N-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67267361
3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide
CID 118901335
2-(5-chloro-2-fluorophenyl)-4-hydroxy-N-(3-pyridin-2-ylphenyl)benzamide
CID 144131866
N-[(3,5-dichlorophenyl)methyl]-4-hydroxy-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 168853669
N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 168853702
N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 168853732

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide (CID 168853691) is N-[(3,5-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide is O=C(c1ccc(O)c(F)c1)N(Cc1cccnc1)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is AKSXUWKYTSJCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN2O2/c21-16-6-14(7-17(22)9-16)12-25(11-13-2-1-5-24-10-13)20(27)15-3-4-19(26)18(23)8-15/h1-10,26H,11-12H2.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
N-[(3,5-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 405.26 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 168853691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).