N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide

C18H18Cl2N2O3 — CID 134019274

IUPACN-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C18H18Cl2N2O3/c1-10-15(21-12(3)23)5-4-6-16(10)22-18(24)11(2)25-17-8-7-13(19)9-14(17)20/h4-9,11H,1-3H3,(H,21,23)(H,22,24)
InChIKeyRZQGDVKMPDYBCF-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.67
Rot. Bonds5

About N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide

N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 134019274) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
PubChem CID134019274
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC NameN-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C18H18Cl2N2O3/c1-10-15(21-12(3)23)5-4-6-16(10)22-18(24)11(2)25-17-8-7-13(19)9-14(17)20/h4-9,11H,1-3H3,(H,21,23)(H,22,24)
InChIKeyRZQGDVKMPDYBCF-UHFFFAOYSA-N
XLogP4.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(3-fluoro-2-methylphenyl)propanamide
CID 2916938
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 134019227
(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 6922800
(2R)-2-(2,4-dichlorophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 2110698
(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7720105
methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate
CID 2807434
2-[2-(2,4-dichlorophenoxy)propanoylamino]benzamide
CID 3579546
2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide
CID 1335501
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide (CID 134019274) is N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide is CC(=O)Nc1cccc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is RZQGDVKMPDYBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-10-15(21-12(3)23)5-4-6-16(10)22-18(24)11(2)25-17-8-7-13(19)9-14(17)20/h4-9,11H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide?
N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 381.26 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 134019274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).