N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide

C12H15Cl2NO2 — CID 103841314

IUPACN-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-3-4-17-7-12(16)15-11-6-9(13)8(2)5-10(11)14/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyQHKMNCJZQOQZNI-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.67
Rot. Bonds5

About N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide

N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide (PubChem CID 103841314) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide
PubChem CID103841314
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-3-4-17-7-12(16)15-11-6-9(13)8(2)5-10(11)14/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyQHKMNCJZQOQZNI-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018149
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)acetamide
CID 104727030
3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide
CID 104727161
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
N-(4-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113230378
N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113256572
3-methyl-4-[(2-propoxyacetyl)amino]benzenesulfonyl chloride
CID 107938552
N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656583
(3Z)-3-amino-N-(2,5-dichloro-4-methylphenyl)-3-hydroxyiminopropanamide
CID 104727903
methyl 4-chloro-2-[(2-methoxyacetyl)amino]-5-methylbenzoate
CID 11000181
N-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide
CID 103747540
4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide
CID 104727177

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide (CID 103841314) is N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide is CCCOCC(=O)Nc1cc(Cl)c(C)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide?
The InChIKey is QHKMNCJZQOQZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-3-4-17-7-12(16)15-11-6-9(13)8(2)5-10(11)14/h5-6H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide?
N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide has a molecular weight of 276.16 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide is sourced from PubChem (CID 103841314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).