N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide

C15H20Cl2N2O3 — CID 71874340

IUPACN'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide
SMILESCCCNC(=O)CCC(=O)NCC(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H20Cl2N2O3/c1-2-8-18-13(21)6-7-14(22)19-9-12(20)15-10(16)4-3-5-11(15)17/h3-5,12,20H,2,6-9H2,1H3,(H,18,21)(H,19,22)
InChIKeyMCBJTHXZIQZKEY-UHFFFAOYSA-N
MW347.24 g/mol
LogP2.45
Rot. Bonds8

About N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide

N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide (PubChem CID 71874340) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide.

Molecular Properties

Compound NameN'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide
PubChem CID71874340
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC NameN'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide
SMILESCCCNC(=O)CCC(=O)NCC(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H20Cl2N2O3/c1-2-8-18-13(21)6-7-14(22)19-9-12(20)15-10(16)4-3-5-11(15)17/h3-5,12,20H,2,6-9H2,1H3,(H,18,21)(H,19,22)
InChIKeyMCBJTHXZIQZKEY-UHFFFAOYSA-N
XLogP2.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide
CID 111912027
N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide
CID 111451181
2-amino-6-chloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 63660396
2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid
CID 119233732
3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide
CID 103778315
N'-(2,6-dichlorophenyl)-N-propylpropanediamide
CID 108940761
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide
CID 111450926
2-[(2,6-dichlorophenyl)methylideneamino]oxy-N-propylacetamide
CID 57192756
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 111452358
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 97222976
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 97069382
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
CID 111452382

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide?
The IUPAC name of N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide (CID 71874340) is N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide.
What is the SMILES notation for N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide?
The canonical SMILES for N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide is CCCNC(=O)CCC(=O)NCC(O)c1c(Cl)cccc1Cl.
What is the InChIKey of N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide?
The InChIKey is MCBJTHXZIQZKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3/c1-2-8-18-13(21)6-7-14(22)19-9-12(20)15-10(16)4-3-5-11(15)17/h3-5,12,20H,2,6-9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide?
N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide has a molecular weight of 347.24 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide is sourced from PubChem (CID 71874340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).