(2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide

C18H17Cl2NO3 — CID 8604763

IUPAC(2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide
SMILESCCC(=O)c1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-3-17(22)12-4-7-14(8-5-12)24-11(2)18(23)21-16-10-13(19)6-9-15(16)20/h4-11H,3H2,1-2H3,(H,21,23)/t11-/m1/s1
InChIKeyJEWQLPGUXMRDPE-LLVKDONJSA-N
MW366.24 g/mol
LogP4.99
Rot. Bonds6

About (2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide

(2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide (PubChem CID 8604763) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is (2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide
PubChem CID8604763
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name(2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide
SMILESCCC(=O)c1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO3/c1-3-17(22)12-4-7-14(8-5-12)24-11(2)18(23)21-16-10-13(19)6-9-15(16)20/h4-11H,3H2,1-2H3,(H,21,23)/t11-/m1/s1
InChIKeyJEWQLPGUXMRDPE-LLVKDONJSA-N
XLogP4.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,5-dichlorophenyl)-2-phenoxypropanamide
CID 7723452
N-benzyl-4-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 1179514
N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 4248246
methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
CID 98667710
(2R)-N-(2,4-dichlorophenyl)-2-(4-ethylphenoxy)propanamide
CID 9236171
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 95077371
2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate
CID 4064798
N-(2,5-dichlorophenyl)-4-methoxy-3-(2-phenoxypropanoylamino)benzamide
CID 2856840
4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 87004483
methyl 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 17462373
methyl 4-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965358
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 1371714

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide?
The IUPAC name of (2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide (CID 8604763) is (2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide is CCC(=O)c1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of (2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide?
The InChIKey is JEWQLPGUXMRDPE-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-3-17(22)12-4-7-14(8-5-12)24-11(2)18(23)21-16-10-13(19)6-9-15(16)20/h4-11H,3H2,1-2H3,(H,21,23)/t11-/m1/s1.
What are the key properties of (2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide?
(2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide has a molecular weight of 366.24 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dichlorophenyl)-2-(4-propanoylphenoxy)propanamide is sourced from PubChem (CID 8604763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).