2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide

C22H26ClFN2O3 — CID 979525

IUPAC2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
SMILESCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C22H26ClFN2O3/c1-28-21-11-15(13-25-17-8-9-19(24)18(23)12-17)7-10-20(21)29-14-22(27)26-16-5-3-2-4-6-16/h7-12,16,25H,2-6,13-14H2,1H3,(H,26,27)
InChIKeyQYMJBGRTPXGSHY-UHFFFAOYSA-N
MW420.91 g/mol
LogP4.93
Rot. Bonds8

About 2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide

2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide (PubChem CID 979525) has the molecular formula C22H26ClFN2O3 and a molecular weight of 420.91 g/mol. Its IUPAC name is 2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
PubChem CID979525
Molecular FormulaC22H26ClFN2O3
Molecular Weight420.91 g/mol
Exact Mass420.16
IUPAC Name2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
SMILESCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C22H26ClFN2O3/c1-28-21-11-15(13-25-17-8-9-19(24)18(23)12-17)7-10-20(21)29-14-22(27)26-16-5-3-2-4-6-16/h7-12,16,25H,2-6,13-14H2,1H3,(H,26,27)
InChIKeyQYMJBGRTPXGSHY-UHFFFAOYSA-N
XLogP4.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.91
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525668
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18083381
N-cyclohexyl-2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 107686419
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525764
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3418656
N'-(3-chloro-4-methoxyphenyl)-N-cycloheptylpropanediamide
CID 108951592
2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide
CID 62537472
N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
CID 108942612
N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204782
5-[(3-chloro-4-fluorophenyl)methylamino]-2-methoxyphenol
CID 81145856

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide (CID 979525) is 2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide is COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide?
The InChIKey is QYMJBGRTPXGSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O3/c1-28-21-11-15(13-25-17-8-9-19(24)18(23)12-17)7-10-20(21)29-14-22(27)26-16-5-3-2-4-6-16/h7-12,16,25H,2-6,13-14H2,1H3,(H,26,27).
What are the key properties of 2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide?
2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide has a molecular weight of 420.91 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide is sourced from PubChem (CID 979525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).