3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide

C17H24Cl2N2O2 — CID 113134317

IUPAC3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(C(C)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H24Cl2N2O2/c1-4-10-20(11-5-2)16(23)9-12-21(13(3)22)15-8-6-7-14(18)17(15)19/h6-8H,4-5,9-12H2,1-3H3
InChIKeyGRVXWDQEMLMDDZ-UHFFFAOYSA-N
MW359.30 g/mol
LogP4.39
Rot. Bonds8

About 3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide

3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide (PubChem CID 113134317) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide
PubChem CID113134317
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Name3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(C(C)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H24Cl2N2O2/c1-4-10-20(11-5-2)16(23)9-12-21(13(3)22)15-8-6-7-14(18)17(15)19/h6-8H,4-5,9-12H2,1-3H3
InChIKeyGRVXWDQEMLMDDZ-UHFFFAOYSA-N
XLogP4.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide
CID 113123613
3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113134364
3-(N-butanoyl-2,3-dichloroanilino)propanoic acid
CID 82320766
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide
CID 113063828
3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide
CID 113134341
3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide
CID 113127046
3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide
CID 113134286
3-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylpropanamide
CID 113127573
3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 113134275
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide
CID 113063841
3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113134338
N-(2,3-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134315

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide?
The IUPAC name of 3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide (CID 113134317) is 3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCN(C(C)=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide?
The InChIKey is GRVXWDQEMLMDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-4-10-20(11-5-2)16(23)9-12-21(13(3)22)15-8-6-7-14(18)17(15)19/h6-8H,4-5,9-12H2,1-3H3.
What are the key properties of 3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide?
3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide has a molecular weight of 359.30 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide is sourced from PubChem (CID 113134317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).