2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide

C22H21ClN2O3 — CID 54810439

IUPAC2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(CNc1ccccc1Cl)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C22H21ClN2O3/c23-20-11-4-5-12-21(20)24-16-22(26)25-17-7-6-10-19(15-17)28-14-13-27-18-8-2-1-3-9-18/h1-12,15,24H,13-14,16H2,(H,25,26)
InChIKeyCWYNRADEGMKYIS-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.85
Rot. Bonds9

About 2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide

2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 54810439) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID54810439
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(CNc1ccccc1Cl)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C22H21ClN2O3/c23-20-11-4-5-12-21(20)24-16-22(26)25-17-7-6-10-19(15-17)28-14-13-27-18-8-2-1-3-9-18/h1-12,15,24H,13-14,16H2,(H,25,26)
InChIKeyCWYNRADEGMKYIS-UHFFFAOYSA-N
XLogP4.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54810242
2-(2-chloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54810371
2-(2-chloroanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54810463
2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811847
2-(2-chloroanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54810243
2-(2,3-dichloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54816061
N-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide
CID 54813009
2-(2,4-dichloroanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54810862
2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54826186
N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827183
2-(3,5-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813315
2-(4-methylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813929

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide (CID 54810439) is 2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide is O=C(CNc1ccccc1Cl)Nc1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of 2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is CWYNRADEGMKYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c23-20-11-4-5-12-21(20)24-16-22(26)25-17-7-6-10-19(15-17)28-14-13-27-18-8-2-1-3-9-18/h1-12,15,24H,13-14,16H2,(H,25,26).
What are the key properties of 2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide has a molecular weight of 396.87 g/mol, XLogP of 4.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54810439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).