N,2-dichloro-N-(2-ethyl-6-methylphenyl)propanamide

C12H15Cl2NO — CID 90701273

IUPACN,2-dichloro-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1N(Cl)C(=O)C(C)Cl
InChIInChI=1S/C12H15Cl2NO/c1-4-10-7-5-6-8(2)11(10)15(14)12(16)9(3)13/h5-7,9H,4H2,1-3H3
InChIKeyMKRMQRKSSFZHLP-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.67
Rot. Bonds3

About N,2-dichloro-N-(2-ethyl-6-methylphenyl)propanamide

N,2-dichloro-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 90701273) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N,2-dichloro-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound NameN,2-dichloro-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID90701273
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN,2-dichloro-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1N(Cl)C(=O)C(C)Cl
InChIInChI=1S/C12H15Cl2NO/c1-4-10-7-5-6-8(2)11(10)15(14)12(16)9(3)13/h5-7,9H,4H2,1-3H3
InChIKeyMKRMQRKSSFZHLP-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 154731362
N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 11831821
2-chloro-N-(2,6-diethylphenyl)-N-[2-(1,3-dithiolan-2-yl)ethyl]propanamide
CID 88825504
ethyl 2-(2-ethyl-6-methyl-N-(2-propan-2-ylsulfanylacetyl)anilino)propanoate
CID 70505326
2-(N-acetyl-2-ethyl-6-methylanilino)-N-propan-2-ylacetamide
CID 113169400
3-amino-N-(2-ethyl-6-methylphenyl)-N-methylpropanamide
CID 28795015
methyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate
CID 71156862
2,3-dichloro-N-(2,6-diethylphenyl)-N'-(2-ethyl-6-methylphenyl)-N,N'-bis(1,2,4-triazol-1-ylmethyl)butanediamide
CID 70512134
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069288
2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoacetic acid
CID 15842091
2-chloro-N-(2,6-dimethylphenyl)-N-methoxybutanamide
CID 88682477
1-amino-1-(2-ethyl-6-methylphenyl)thiourea
CID 20849979

Frequently Asked Questions

What is the IUPAC name of N,2-dichloro-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of N,2-dichloro-N-(2-ethyl-6-methylphenyl)propanamide (CID 90701273) is N,2-dichloro-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for N,2-dichloro-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for N,2-dichloro-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1N(Cl)C(=O)C(C)Cl.
What is the InChIKey of N,2-dichloro-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is MKRMQRKSSFZHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-4-10-7-5-6-8(2)11(10)15(14)12(16)9(3)13/h5-7,9H,4H2,1-3H3.
What are the key properties of N,2-dichloro-N-(2-ethyl-6-methylphenyl)propanamide?
N,2-dichloro-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 260.16 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dichloro-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 90701273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).