5-chloro-2-(2-methoxy-2-phenylethoxy)benzamide

C16H16ClNO3 — CID 141125066

IUPAC5-chloro-2-(2-methoxy-2-phenylethoxy)benzamide
SMILESCOC(COc1ccc(Cl)cc1C(N)=O)c1ccccc1
InChIInChI=1S/C16H16ClNO3/c1-20-15(11-5-3-2-4-6-11)10-21-14-8-7-12(17)9-13(14)16(18)19/h2-9,15H,10H2,1H3,(H2,18,19)
InChIKeyAVKQISWJYYHYAC-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.21
Rot. Bonds6

About 5-chloro-2-(2-methoxy-2-phenylethoxy)benzamide

5-chloro-2-(2-methoxy-2-phenylethoxy)benzamide (PubChem CID 141125066) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 5-chloro-2-(2-methoxy-2-phenylethoxy)benzamide.

Molecular Properties

Compound Name5-chloro-2-(2-methoxy-2-phenylethoxy)benzamide
PubChem CID141125066
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name5-chloro-2-(2-methoxy-2-phenylethoxy)benzamide
SMILESCOC(COc1ccc(Cl)cc1C(N)=O)c1ccccc1
InChIInChI=1S/C16H16ClNO3/c1-20-15(11-5-3-2-4-6-11)10-21-14-8-7-12(17)9-13(14)16(18)19/h2-9,15H,10H2,1H3,(H2,18,19)
InChIKeyAVKQISWJYYHYAC-UHFFFAOYSA-N
XLogP3.21
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide
CID 27266848
1-methoxy-2-[(2R)-2-methoxy-2-phenylethoxy]benzene
CID 139888688
5-chloro-2-(3-cyanopropoxy)benzamide
CID 45257682
[(2R)-2-methoxy-2-phenylethyl] [(2S)-2-methoxy-2-phenylethyl] carbonate
CID 102443903
2-[2-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-2-methoxyethoxy]benzoic acid
CID 142768485
5-amino-2-(2-methoxypropoxy)benzamide
CID 106956252
5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide
CID 46607912
2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 42904332
2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 26217578
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799
5-chloro-2-(2,4-dimethylpentoxy)benzoic acid
CID 114200018
2-(2-benzoyl-4-chlorophenoxy)acetamide
CID 54259407

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methoxy-2-phenylethoxy)benzamide?
The IUPAC name of 5-chloro-2-(2-methoxy-2-phenylethoxy)benzamide (CID 141125066) is 5-chloro-2-(2-methoxy-2-phenylethoxy)benzamide.
What is the SMILES notation for 5-chloro-2-(2-methoxy-2-phenylethoxy)benzamide?
The canonical SMILES for 5-chloro-2-(2-methoxy-2-phenylethoxy)benzamide is COC(COc1ccc(Cl)cc1C(N)=O)c1ccccc1.
What is the InChIKey of 5-chloro-2-(2-methoxy-2-phenylethoxy)benzamide?
The InChIKey is AVKQISWJYYHYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-15(11-5-3-2-4-6-11)10-21-14-8-7-12(17)9-13(14)16(18)19/h2-9,15H,10H2,1H3,(H2,18,19).
What are the key properties of 5-chloro-2-(2-methoxy-2-phenylethoxy)benzamide?
5-chloro-2-(2-methoxy-2-phenylethoxy)benzamide has a molecular weight of 305.76 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methoxy-2-phenylethoxy)benzamide is sourced from PubChem (CID 141125066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).