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

C22H19ClN2O3 — CID 1371601

IUPACN-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide
SMILESCc1cc(NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H19ClN2O3/c1-15-13-17(24-21(26)14-28-20-10-6-5-9-18(20)23)11-12-19(15)25-22(27)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyIEVVYTRTUMDCHQ-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.92
Rot. Bonds6

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

N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide (PubChem CID 1371601) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide
PubChem CID1371601
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC NameN-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide
SMILESCc1cc(NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H19ClN2O3/c1-15-13-17(24-21(26)14-28-20-10-6-5-9-18(20)23)11-12-19(15)25-22(27)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyIEVVYTRTUMDCHQ-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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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide?
The IUPAC name of N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide (CID 1371601) is N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide.
What is the SMILES notation for N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide?
The canonical SMILES for N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide is Cc1cc(NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide?
The InChIKey is IEVVYTRTUMDCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-15-13-17(24-21(26)14-28-20-10-6-5-9-18(20)23)11-12-19(15)25-22(27)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide?
N-[4-[[2-(2-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-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide is sourced from PubChem (CID 1371601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).