N-butan-2-yl-3-(3,5-dichlorophenyl)-3-hydroxypropanamide

C13H17Cl2NO2 — CID 111664610

IUPACN-butan-2-yl-3-(3,5-dichlorophenyl)-3-hydroxypropanamide
SMILESCCC(C)NC(=O)CC(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO2/c1-3-8(2)16-13(18)7-12(17)9-4-10(14)6-11(15)5-9/h4-6,8,12,17H,3,7H2,1-2H3,(H,16,18)
InChIKeyZKDQCJGIXBDZJX-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.33
Rot. Bonds5

About N-butan-2-yl-3-(3,5-dichlorophenyl)-3-hydroxypropanamide

N-butan-2-yl-3-(3,5-dichlorophenyl)-3-hydroxypropanamide (PubChem CID 111664610) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is N-butan-2-yl-3-(3,5-dichlorophenyl)-3-hydroxypropanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(3,5-dichlorophenyl)-3-hydroxypropanamide
PubChem CID111664610
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC NameN-butan-2-yl-3-(3,5-dichlorophenyl)-3-hydroxypropanamide
SMILESCCC(C)NC(=O)CC(O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO2/c1-3-8(2)16-13(18)7-12(17)9-4-10(14)6-11(15)5-9/h4-6,8,12,17H,3,7H2,1-2H3,(H,16,18)
InChIKeyZKDQCJGIXBDZJX-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide
CID 111664681
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
3-(N-acetyl-3,5-dichloroanilino)-N-butan-2-ylpropanamide
CID 113134053
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 722549
N-butan-2-yl-2-(4-chlorophenyl)sulfanylacetamide
CID 3139102
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162
1-(3,5-dichlorophenyl)-3-methylbut-3-en-1-ol
CID 115816915
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethylsulfanylpropanamide
CID 111427466
3-amino-N-[(2S)-butan-2-yl]butanamide
CID 142118681
N-butan-2-yl-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 60719366
N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide
CID 61022567

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(3,5-dichlorophenyl)-3-hydroxypropanamide?
The IUPAC name of N-butan-2-yl-3-(3,5-dichlorophenyl)-3-hydroxypropanamide (CID 111664610) is N-butan-2-yl-3-(3,5-dichlorophenyl)-3-hydroxypropanamide.
What is the SMILES notation for N-butan-2-yl-3-(3,5-dichlorophenyl)-3-hydroxypropanamide?
The canonical SMILES for N-butan-2-yl-3-(3,5-dichlorophenyl)-3-hydroxypropanamide is CCC(C)NC(=O)CC(O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-butan-2-yl-3-(3,5-dichlorophenyl)-3-hydroxypropanamide?
The InChIKey is ZKDQCJGIXBDZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-3-8(2)16-13(18)7-12(17)9-4-10(14)6-11(15)5-9/h4-6,8,12,17H,3,7H2,1-2H3,(H,16,18).
What are the key properties of N-butan-2-yl-3-(3,5-dichlorophenyl)-3-hydroxypropanamide?
N-butan-2-yl-3-(3,5-dichlorophenyl)-3-hydroxypropanamide has a molecular weight of 290.19 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(3,5-dichlorophenyl)-3-hydroxypropanamide is sourced from PubChem (CID 111664610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).