N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide

C17H18Cl2N2O — CID 109020531

IUPACN-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-21(12-13-5-3-2-4-6-13)17(22)9-10-20-16-8-7-14(18)11-15(16)19/h2-8,11,20H,9-10,12H2,1H3
InChIKeyRMSRUPATQCLHRG-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.45
Rot. Bonds6

About N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide

N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide (PubChem CID 109020531) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide
PubChem CID109020531
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC NameN-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-21(12-13-5-3-2-4-6-13)17(22)9-10-20-16-8-7-14(18)11-15(16)19/h2-8,11,20H,9-10,12H2,1H3
InChIKeyRMSRUPATQCLHRG-UHFFFAOYSA-N
XLogP4.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide
CID 109034616
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide
CID 109020527
3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide
CID 61469601
3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020498
3-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020497
N-[(3-chlorophenyl)methyl]-3-[(2-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55349042
N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27665840
N-benzyl-N-methyl-3-(propylamino)propanamide
CID 109011497
N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide
CID 109031714
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide?
The IUPAC name of N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide (CID 109020531) is N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCNc1ccc(Cl)cc1Cl.
What is the InChIKey of N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide?
The InChIKey is RMSRUPATQCLHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-21(12-13-5-3-2-4-6-13)17(22)9-10-20-16-8-7-14(18)11-15(16)19/h2-8,11,20H,9-10,12H2,1H3.
What are the key properties of N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide?
N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide has a molecular weight of 337.25 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide is sourced from PubChem (CID 109020531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).