3-[2-(2-chloro-4-fluoro-5-methylphenyl)acetyl]-4-methoxybenzamide

C17H15ClFNO3 — CID 160839258

IUPAC3-[2-(2-chloro-4-fluoro-5-methylphenyl)acetyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1C(=O)Cc1cc(C)c(F)cc1Cl
InChIInChI=1S/C17H15ClFNO3/c1-9-5-11(13(18)8-14(9)19)7-15(21)12-6-10(17(20)22)3-4-16(12)23-2/h3-6,8H,7H2,1-2H3,(H2,20,22)
InChIKeySHUUPUMMXRCXPS-UHFFFAOYSA-N
MW335.76 g/mol
LogP3.32
Rot. Bonds5

About 3-[2-(2-chloro-4-fluoro-5-methylphenyl)acetyl]-4-methoxybenzamide

3-[2-(2-chloro-4-fluoro-5-methylphenyl)acetyl]-4-methoxybenzamide (PubChem CID 160839258) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is 3-[2-(2-chloro-4-fluoro-5-methylphenyl)acetyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[2-(2-chloro-4-fluoro-5-methylphenyl)acetyl]-4-methoxybenzamide
PubChem CID160839258
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Name3-[2-(2-chloro-4-fluoro-5-methylphenyl)acetyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1C(=O)Cc1cc(C)c(F)cc1Cl
InChIInChI=1S/C17H15ClFNO3/c1-9-5-11(13(18)8-14(9)19)7-15(21)12-6-10(17(20)22)3-4-16(12)23-2/h3-6,8H,7H2,1-2H3,(H2,20,22)
InChIKeySHUUPUMMXRCXPS-UHFFFAOYSA-N
XLogP3.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide
CID 158812544
3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide
CID 102670681
2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
CID 119005832
2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 106865397
2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 62621300
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034
(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 104785073
4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide
CID 102663136
3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide
CID 102664294
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81045109
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 81045028
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 63081738

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloro-4-fluoro-5-methylphenyl)acetyl]-4-methoxybenzamide?
The IUPAC name of 3-[2-(2-chloro-4-fluoro-5-methylphenyl)acetyl]-4-methoxybenzamide (CID 160839258) is 3-[2-(2-chloro-4-fluoro-5-methylphenyl)acetyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[2-(2-chloro-4-fluoro-5-methylphenyl)acetyl]-4-methoxybenzamide?
The canonical SMILES for 3-[2-(2-chloro-4-fluoro-5-methylphenyl)acetyl]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1C(=O)Cc1cc(C)c(F)cc1Cl.
What is the InChIKey of 3-[2-(2-chloro-4-fluoro-5-methylphenyl)acetyl]-4-methoxybenzamide?
The InChIKey is SHUUPUMMXRCXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c1-9-5-11(13(18)8-14(9)19)7-15(21)12-6-10(17(20)22)3-4-16(12)23-2/h3-6,8H,7H2,1-2H3,(H2,20,22).
What are the key properties of 3-[2-(2-chloro-4-fluoro-5-methylphenyl)acetyl]-4-methoxybenzamide?
3-[2-(2-chloro-4-fluoro-5-methylphenyl)acetyl]-4-methoxybenzamide has a molecular weight of 335.76 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloro-4-fluoro-5-methylphenyl)acetyl]-4-methoxybenzamide is sourced from PubChem (CID 160839258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).