2-(4-chlorophenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide

C19H21ClN2O3 — CID 46761037

IUPAC2-(4-chlorophenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)C(C)Oc2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C19H21ClN2O3/c1-4-18(23)22-17-11-15(8-5-12(17)2)21-19(24)13(3)25-16-9-6-14(20)7-10-16/h5-11,13H,4H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyMEOQSEPOOFIQBO-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.40
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide

2-(4-chlorophenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide (PubChem CID 46761037) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide
PubChem CID46761037
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-(4-chlorophenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)C(C)Oc2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C19H21ClN2O3/c1-4-18(23)22-17-11-15(8-5-12(17)2)21-19(24)13(3)25-16-9-6-14(20)7-10-16/h5-11,13H,4H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyMEOQSEPOOFIQBO-UHFFFAOYSA-N
XLogP4.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-3-(propanoylamino)phenyl]-2-(4-nitrophenoxy)propanamide
CID 46761075
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 42427542
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
CID 108541480
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide
CID 19191633
N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822319
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 95077371

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide (CID 46761037) is 2-(4-chlorophenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide is CCC(=O)Nc1cc(NC(=O)C(C)Oc2ccc(Cl)cc2)ccc1C.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide?
The InChIKey is MEOQSEPOOFIQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-4-18(23)22-17-11-15(8-5-12(17)2)21-19(24)13(3)25-16-9-6-14(20)7-10-16/h5-11,13H,4H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide?
2-(4-chlorophenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide has a molecular weight of 360.84 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-methyl-3-(propanoylamino)phenyl]propanamide is sourced from PubChem (CID 46761037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).