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

C20H15Cl2FN2O2 — CID 168853742

IUPACN-[(2,4-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(O)c(F)c1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl2FN2O2/c21-16-5-3-15(17(22)9-16)12-25(11-13-2-1-7-24-10-13)20(27)14-4-6-19(26)18(23)8-14/h1-10,26H,11-12H2
InChIKeyFBKTYLGZAXKDIX-UHFFFAOYSA-N
MW405.26 g/mol
LogP5.08
Rot. Bonds5

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

N-[(2,4-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 168853742) has the molecular formula C20H15Cl2FN2O2 and a molecular weight of 405.26 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID168853742
Molecular FormulaC20H15Cl2FN2O2
Molecular Weight405.26 g/mol
Exact Mass404.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccc(O)c(F)c1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl2FN2O2/c21-16-5-3-15(17(22)9-16)12-25(11-13-2-1-7-24-10-13)20(27)14-4-6-19(26)18(23)8-14/h1-10,26H,11-12H2
InChIKeyFBKTYLGZAXKDIX-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

[3-(2,4-Dichlorophenyl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 135860252
(2,4-Dichloro-6-hydroxyphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 155512528
N-[4-(2,4-dichlorophenyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
CID 117972567
3-chloro-N-cyclopropyl-4-hydroxy-N-(pyridin-4-ylmethyl)benzamide
CID 118740684
4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 70811091
3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide
CID 118901335
4-[(4-chloro-3-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 145364550
5-[[(2,4-Dichlorophenyl)methyl-(3-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 166869271
N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[[6-(hydroxymethyl)-3-pyridinyl]methyl]benzamide
CID 166870320
N-[(3,5-dichlorophenyl)methyl]-4-hydroxy-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 168853669
N-[(2,4-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853683
N-[(3,5-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853691

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide (CID 168853742) is N-[(2,4-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide is O=C(c1ccc(O)c(F)c1)N(Cc1cccnc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is FBKTYLGZAXKDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN2O2/c21-16-5-3-15(17(22)9-16)12-25(11-13-2-1-7-24-10-13)20(27)14-4-6-19(26)18(23)8-14/h1-10,26H,11-12H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
N-[(2,4-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-[(2,4-dichlorophenyl)methyl]-3-fluoro-4-hydroxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 168853742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).