N-(3,5-dichlorophenyl)-2-methylpropanamide

C10H11Cl2NO — CID 797394

IUPACN-(3,5-dichlorophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-6(2)10(14)13-9-4-7(11)3-8(12)5-9/h3-6H,1-2H3,(H,13,14)
InChIKeyYJQGNYHTBOOPTH-UHFFFAOYSA-N
MW232.11 g/mol
LogP3.59
Rot. Bonds2

About N-(3,5-dichlorophenyl)-2-methylpropanamide

N-(3,5-dichlorophenyl)-2-methylpropanamide (PubChem CID 797394) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-methylpropanamide
PubChem CID797394
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC NameN-(3,5-dichlorophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2NO/c1-6(2)10(14)13-9-4-7(11)3-8(12)5-9/h3-6H,1-2H3,(H,13,14)
InChIKeyYJQGNYHTBOOPTH-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 17189296
(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
CID 42314535
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] propanoate
CID 7860279
(4R)-5-(3,5-dichloroanilino)-4-hydroxy-5-oxopentanoate;propan-2-ylazanium
CID 110192568
N-(3,5-dichlorophenyl)-2-phenoxypropanamide
CID 2886890
2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide
CID 82179923
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2396184
(2R)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide
CID 2493886
[1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 3-methylbut-2-enoate
CID 4233466
(2S)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide
CID 2493884
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-methylpropanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-methylpropanamide (CID 797394) is N-(3,5-dichlorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-methylpropanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-methylpropanamide is CC(C)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-methylpropanamide?
The InChIKey is YJQGNYHTBOOPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-6(2)10(14)13-9-4-7(11)3-8(12)5-9/h3-6H,1-2H3,(H,13,14).
What are the key properties of N-(3,5-dichlorophenyl)-2-methylpropanamide?
N-(3,5-dichlorophenyl)-2-methylpropanamide has a molecular weight of 232.11 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 797394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).