N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide

C13H18Cl2N2O — CID 104727045

IUPACN-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-5-16-13(3,4)12(18)17-11-7-9(14)8(2)6-10(11)15/h6-7,16H,5H2,1-4H3,(H,17,18)
InChIKeyQFWXOSQDCVFICA-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.63
Rot. Bonds4

About N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide

N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide (PubChem CID 104727045) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide
PubChem CID104727045
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-5-16-13(3,4)12(18)17-11-7-9(14)8(2)6-10(11)15/h6-7,16H,5H2,1-4H3,(H,17,18)
InChIKeyQFWXOSQDCVFICA-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide
CID 114259790
3-(2,5-dichloro-4-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 104727936
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)acetamide
CID 104727030
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
4-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylbenzoic acid
CID 62834340
2-cyano-N-(2,5-dichloro-4-methylphenyl)-2-propylpentanamide
CID 104727193
N-[4-(dimethylamino)-2-methylphenyl]-2-(ethylamino)-2-methylpropanamide
CID 62833572
4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide
CID 104727177
N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 114001853
2-(2,5-dichloro-4-methylanilino)-2-oxoacetic acid
CID 104727934
methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate
CID 62832150
2-(ethylamino)-2-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 62836240

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide (CID 104727045) is N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)Nc1cc(Cl)c(C)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide?
The InChIKey is QFWXOSQDCVFICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-5-16-13(3,4)12(18)17-11-7-9(14)8(2)6-10(11)15/h6-7,16H,5H2,1-4H3,(H,17,18).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide?
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide has a molecular weight of 289.21 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 104727045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).