2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide

C21H18Cl2N2O3 — CID 55888077

IUPAC2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)c3ccc(Cl)cc3Cl)ccn2)cc1
InChIInChI=1S/C21H18Cl2N2O3/c1-2-27-16-4-6-17(7-5-16)28-20-11-14(9-10-24-20)13-25-21(26)18-8-3-15(22)12-19(18)23/h3-12H,2,13H2,1H3,(H,25,26)
InChIKeyFTGBVWBPEAKSGW-UHFFFAOYSA-N
MW417.29 g/mol
LogP5.51
Rot. Bonds7

About 2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide

2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide (PubChem CID 55888077) has the molecular formula C21H18Cl2N2O3 and a molecular weight of 417.29 g/mol. Its IUPAC name is 2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide
PubChem CID55888077
Molecular FormulaC21H18Cl2N2O3
Molecular Weight417.29 g/mol
Exact Mass416.07
IUPAC Name2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)c3ccc(Cl)cc3Cl)ccn2)cc1
InChIInChI=1S/C21H18Cl2N2O3/c1-2-27-16-4-6-17(7-5-16)28-20-11-14(9-10-24-20)13-25-21(26)18-8-3-15(22)12-19(18)23/h3-12H,2,13H2,1H3,(H,25,26)
InChIKeyFTGBVWBPEAKSGW-UHFFFAOYSA-N
XLogP5.51
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.29
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide
CID 55888466
2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 55886671
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47063430
4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide
CID 119847529
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 55887692
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-naphthalen-1-ylacetamide
CID 55888076
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47063435
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
2,4-dichloro-N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24546574
N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55887705
2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843780

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide (CID 55888077) is 2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide is CCOc1ccc(Oc2cc(CNC(=O)c3ccc(Cl)cc3Cl)ccn2)cc1.
What is the InChIKey of 2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide?
The InChIKey is FTGBVWBPEAKSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3/c1-2-27-16-4-6-17(7-5-16)28-20-11-14(9-10-24-20)13-25-21(26)18-8-3-15(22)12-19(18)23/h3-12H,2,13H2,1H3,(H,25,26).
What are the key properties of 2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide?
2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide has a molecular weight of 417.29 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55888077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).