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

C16H16ClFN2O3 — CID 66525668

IUPAC2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCC(N)=O
InChIInChI=1S/C16H16ClFN2O3/c1-22-15-6-10(2-5-14(15)23-9-16(19)21)8-20-11-3-4-13(18)12(17)7-11/h2-7,20H,8-9H2,1H3,(H2,19,21)
InChIKeyAVCQVJPJZPDAFP-UHFFFAOYSA-N
MW338.77 g/mol
LogP2.96
Rot. Bonds7

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

2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide (PubChem CID 66525668) has the molecular formula C16H16ClFN2O3 and a molecular weight of 338.77 g/mol. Its IUPAC name is 2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide
PubChem CID66525668
Molecular FormulaC16H16ClFN2O3
Molecular Weight338.77 g/mol
Exact Mass338.08
IUPAC Name2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCC(N)=O
InChIInChI=1S/C16H16ClFN2O3/c1-22-15-6-10(2-5-14(15)23-9-16(19)21)8-20-11-3-4-13(18)12(17)7-11/h2-7,20H,8-9H2,1H3,(H2,19,21)
InChIKeyAVCQVJPJZPDAFP-UHFFFAOYSA-N
XLogP2.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
CID 979525
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
5-[(3-chloro-4-fluorophenyl)methylamino]-2-methoxyphenol
CID 81145856
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol
CID 83454430
4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112862613
N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
CID 19644382
N-tert-butyl-2-[4-[(3-chloro-4-methylanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525764
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 60615931
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3418656
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 28615179
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804153

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide (CID 66525668) is 2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide is COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is AVCQVJPJZPDAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3/c1-22-15-6-10(2-5-14(15)23-9-16(19)21)8-20-11-3-4-13(18)12(17)7-11/h2-7,20H,8-9H2,1H3,(H2,19,21).
What are the key properties of 2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide?
2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 338.77 g/mol, XLogP of 2.96, 7 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]acetamide is sourced from PubChem (CID 66525668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).