2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide

C22H20ClNO3 — CID 3624899

IUPAC2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H20ClNO3/c1-15-14-17(23)8-13-21(15)26-16(2)22(25)24-18-9-11-20(12-10-18)27-19-6-4-3-5-7-19/h3-14,16H,1-2H3,(H,24,25)
InChIKeyVWVORLKNJJJMON-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.85
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide

2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide (PubChem CID 3624899) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
PubChem CID3624899
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H20ClNO3/c1-15-14-17(23)8-13-21(15)26-16(2)22(25)24-18-9-11-20(12-10-18)27-19-6-4-3-5-7-19/h3-14,16H,1-2H3,(H,24,25)
InChIKeyVWVORLKNJJJMON-UHFFFAOYSA-N
XLogP5.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
N-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
CID 4051387
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686
methyl 4-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]benzoate
CID 723990
(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 9172968
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 92685331
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1294665
N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 43079181
(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1009322
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide (CID 3624899) is 2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is VWVORLKNJJJMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3/c1-15-14-17(23)8-13-21(15)26-16(2)22(25)24-18-9-11-20(12-10-18)27-19-6-4-3-5-7-19/h3-14,16H,1-2H3,(H,24,25).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 381.86 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 3624899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).