N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide

C22H21ClN2O2 — CID 54828339

IUPACN-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
SMILESO=C(CNc1cccc(OCCc2ccccc2)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C22H21ClN2O2/c23-18-8-4-10-20(14-18)25-22(26)16-24-19-9-5-11-21(15-19)27-13-12-17-6-2-1-3-7-17/h1-11,14-15,24H,12-13,16H2,(H,25,26)
InChIKeyGPCAPIFBNXINPX-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.01
Rot. Bonds8

About N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide

N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide (PubChem CID 54828339) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
PubChem CID54828339
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC NameN-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
SMILESO=C(CNc1cccc(OCCc2ccccc2)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C22H21ClN2O2/c23-18-8-4-10-20(14-18)25-22(26)16-24-19-9-5-11-21(15-19)27-13-12-17-6-2-1-3-7-17/h1-11,14-15,24H,12-13,16H2,(H,25,26)
InChIKeyGPCAPIFBNXINPX-UHFFFAOYSA-N
XLogP5.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichloroanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54810862
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54827361
N-(2,6-dimethylphenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828309
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399
N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54839558
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292
2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54810854
N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843325
1-(3-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
CID 17133229
N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54844265
2-(2-methoxyanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54817560
2-methyl-N-[3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54831793

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide (CID 54828339) is N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide is O=C(CNc1cccc(OCCc2ccccc2)c1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide?
The InChIKey is GPCAPIFBNXINPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c23-18-8-4-10-20(14-18)25-22(26)16-24-19-9-5-11-21(15-19)27-13-12-17-6-2-1-3-7-17/h1-11,14-15,24H,12-13,16H2,(H,25,26).
What are the key properties of N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide?
N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide has a molecular weight of 380.88 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide is sourced from PubChem (CID 54828339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).