N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide

C23H21ClN2O3 — CID 17222861

IUPACN-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NC(=O)COc2ccccc2Cl)c1
InChIInChI=1S/C23H21ClN2O3/c24-20-11-4-5-12-21(20)29-16-23(28)26-19-10-6-9-18(15-19)25-22(27)14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2,(H,25,27)(H,26,28)
InChIKeyXGJZWDJAJCWJDK-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.93
Rot. Bonds8

About N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide

N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 17222861) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
PubChem CID17222861
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NC(=O)COc2ccccc2Cl)c1
InChIInChI=1S/C23H21ClN2O3/c24-20-11-4-5-12-21(20)29-16-23(28)26-19-10-6-9-18(15-19)25-22(27)14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2,(H,25,27)(H,26,28)
InChIKeyXGJZWDJAJCWJDK-UHFFFAOYSA-N
XLogP4.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139333
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]propanamide
CID 17027266
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 9321704
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]-3-phenylpropanamide
CID 17222822
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-(4-methylphenyl)propanamide
CID 60535941
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39187776
2-(2-chlorophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 9293522
2-(4-bromo-2-chlorophenoxy)-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 17142159
2-(2-chlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7815815
2-(2-chlorophenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169815

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide (CID 17222861) is N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cccc(NC(=O)COc2ccccc2Cl)c1.
What is the InChIKey of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is XGJZWDJAJCWJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c24-20-11-4-5-12-21(20)29-16-23(28)26-19-10-6-9-18(15-19)25-22(27)14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2,(H,25,27)(H,26,28).
What are the key properties of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide?
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 408.89 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 17222861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).