N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide

C22H19ClN2O3 — CID 55899034

IUPACN-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide
SMILESCc1c(NC(=O)COc2ccc(Cl)cc2)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H19ClN2O3/c1-15-19(24-21(26)14-28-18-12-10-17(23)11-13-18)8-5-9-20(15)25-22(27)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyYKBKPTQEYJOVPS-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.92
Rot. Bonds6

About N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide

N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide (PubChem CID 55899034) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide
PubChem CID55899034
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC NameN-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide
SMILESCc1c(NC(=O)COc2ccc(Cl)cc2)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H19ClN2O3/c1-15-19(24-21(26)14-28-18-12-10-17(23)11-13-18)8-5-9-20(15)25-22(27)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyYKBKPTQEYJOVPS-UHFFFAOYSA-N
XLogP4.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylphenyl]benzamide
CID 55899662
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide
CID 1179092
N-[2-methyl-3-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 38300689
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7816201
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 6870238
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 6870236
N-(3-chloro-2-methylphenyl)-4-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 6870223
N-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 759065
4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-N-(4-fluorophenyl)benzamide
CID 1191658

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide?
The IUPAC name of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide (CID 55899034) is N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide?
The canonical SMILES for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide is Cc1c(NC(=O)COc2ccc(Cl)cc2)cccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide?
The InChIKey is YKBKPTQEYJOVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-15-19(24-21(26)14-28-18-12-10-17(23)11-13-18)8-5-9-20(15)25-22(27)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide?
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide has a molecular weight of 394.86 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide is sourced from PubChem (CID 55899034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).