2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide

C23H21ClN2O3 — CID 132663328

IUPAC2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)COc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C23H21ClN2O3/c1-16(17-8-3-2-4-9-17)25-23(28)20-12-5-6-13-21(20)26-22(27)15-29-19-11-7-10-18(24)14-19/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyLMDFSNXDZOSKGT-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.85
Rot. Bonds7

About 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide

2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 132663328) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID132663328
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)COc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C23H21ClN2O3/c1-16(17-8-3-2-4-9-17)25-23(28)20-12-5-6-13-21(20)26-22(27)15-29-19-11-7-10-18(24)14-19/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyLMDFSNXDZOSKGT-UHFFFAOYSA-N
XLogP4.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 7894290
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7894311
2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 2449612
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4935075
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945322
2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 126125465
2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
CID 4157890
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-(3,5-dichlorophenoxy)-N-(1-phenylethyl)acetamide
CID 18165800
2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 24595104
N-[(2R)-butan-2-yl]-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94592415
2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 99133008

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide (CID 132663328) is 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccccc1NC(=O)COc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is LMDFSNXDZOSKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-16(17-8-3-2-4-9-17)25-23(28)20-12-5-6-13-21(20)26-22(27)15-29-19-11-7-10-18(24)14-19/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide?
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 408.89 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 132663328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).