N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide

C23H21ClN2O3 — CID 46456558

IUPACN-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide
SMILESCC(NC(=O)COc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H21ClN2O3/c1-16(25-22(27)15-29-21-12-10-19(24)11-13-21)18-8-5-9-20(14-18)26-23(28)17-6-3-2-4-7-17/h2-14,16H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyWRTGGQRFSCUWQN-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.85
Rot. Bonds7

About N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide

N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide (PubChem CID 46456558) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide
PubChem CID46456558
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide
SMILESCC(NC(=O)COc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H21ClN2O3/c1-16(25-22(27)15-29-21-12-10-19(24)11-13-21)18-8-5-9-20(14-18)26-23(28)17-6-3-2-4-7-17/h2-14,16H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyWRTGGQRFSCUWQN-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

N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 51727122
N-[3-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 42960826
2-(4-benzoylphenoxy)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 7717900
N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide
CID 46464874
2-(4-benzoylphenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7948812
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197376
N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 46580359
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-2-chlorobenzamide
CID 46456768
N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide
CID 46464519
N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide
CID 51725330
2-(4-chlorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213474

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide (CID 46456558) is N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide is CC(NC(=O)COc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide?
The InChIKey is WRTGGQRFSCUWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-16(25-22(27)15-29-21-12-10-19(24)11-13-21)18-8-5-9-20(14-18)26-23(28)17-6-3-2-4-7-17/h2-14,16H,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide?
N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]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 N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 46456558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).