N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide

C17H16ClNO3 — CID 71969037

IUPACN-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2cc(C(C)=O)ccc2Cl)cc1
InChIInChI=1S/C17H16ClNO3/c1-11(20)14-7-8-15(18)16(9-14)19-17(21)13-5-3-12(4-6-13)10-22-2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyNYOIHHCTRGLGOZ-UHFFFAOYSA-N
MW317.77 g/mol
LogP3.94
Rot. Bonds5

About N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide

N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide (PubChem CID 71969037) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide
PubChem CID71969037
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC NameN-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2cc(C(C)=O)ccc2Cl)cc1
InChIInChI=1S/C17H16ClNO3/c1-11(20)14-7-8-15(18)16(9-14)19-17(21)13-5-3-12(4-6-13)10-22-2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyNYOIHHCTRGLGOZ-UHFFFAOYSA-N
XLogP3.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate
CID 38239113
N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide
CID 84587481
1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone
CID 82535653
N-(2-hydroxy-4-methylphenyl)-4-(methoxymethyl)benzamide
CID 8638574
N-(5-fluoro-2-methylphenyl)-4-(methoxymethyl)benzamide
CID 8572955
N-(4-iodophenyl)-4-(methoxymethyl)benzamide
CID 8571988
3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide
CID 102851094
4-(methoxymethyl)-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 30859143
methyl 4-chloro-3-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzoate
CID 43925127
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
CID 2995153
1-[4-[4-[4-(methoxymethyl)phenyl]phenyl]phenyl]ethanone
CID 71344884
1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone
CID 54297695

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide?
The IUPAC name of N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide (CID 71969037) is N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide?
The canonical SMILES for N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)Nc2cc(C(C)=O)ccc2Cl)cc1.
What is the InChIKey of N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide?
The InChIKey is NYOIHHCTRGLGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-11(20)14-7-8-15(18)16(9-14)19-17(21)13-5-3-12(4-6-13)10-22-2/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide?
N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide has a molecular weight of 317.77 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide is sourced from PubChem (CID 71969037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).