N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide

C14H18Cl2N2O2 — CID 113063711

IUPACN-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide
SMILESCC(=O)N(CCNC(=O)C(C)C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c1-9(2)14(20)17-4-5-18(10(3)19)13-7-11(15)6-12(16)8-13/h6-9H,4-5H2,1-3H3,(H,17,20)
InChIKeyMLSLBKZPBFIDFN-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide

N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide (PubChem CID 113063711) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide
PubChem CID113063711
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide
SMILESCC(=O)N(CCNC(=O)C(C)C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c1-9(2)14(20)17-4-5-18(10(3)19)13-7-11(15)6-12(16)8-13/h6-9H,4-5H2,1-3H3,(H,17,20)
InChIKeyMLSLBKZPBFIDFN-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2,2-dimethylpropanamide
CID 113063717
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide
CID 113059796
N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113071997
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide
CID 113063724
3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide
CID 113134052
N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide
CID 113062718
tert-butyl N-(2-acetamidoethyl)-N-(3,5-dichlorophenyl)carbamate
CID 141067660
3-(N-acetyl-3,5-dichloroanilino)-N-butan-2-ylpropanamide
CID 113134053
N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 113054821
methyl 3-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-chlorobenzoate
CID 113062086
N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
CID 113059514
3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113134123

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide (CID 113063711) is N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide is CC(=O)N(CCNC(=O)C(C)C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide?
The InChIKey is MLSLBKZPBFIDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-9(2)14(20)17-4-5-18(10(3)19)13-7-11(15)6-12(16)8-13/h6-9H,4-5H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide?
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide has a molecular weight of 317.22 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 113063711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).