2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide

C13H17Cl2NO3 — CID 110895980

IUPAC2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
SMILESCCC(CO)NC(=O)C(C)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO3/c1-3-9(7-17)16-13(18)8(2)19-10-4-5-11(14)12(15)6-10/h4-6,8-9,17H,3,7H2,1-2H3,(H,16,18)
InChIKeyVHZACPQTYXQPFO-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.65
Rot. Bonds6

About 2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide

2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide (PubChem CID 110895980) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
PubChem CID110895980
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
SMILESCCC(CO)NC(=O)C(C)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO3/c1-3-9(7-17)16-13(18)8(2)19-10-4-5-11(14)12(15)6-10/h4-6,8-9,17H,3,7H2,1-2H3,(H,16,18)
InChIKeyVHZACPQTYXQPFO-UHFFFAOYSA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920103
N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282
N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
CID 103920159
2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
CID 47109802
N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide
CID 104981564
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 104981500
2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 78889646
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
(2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 8580031
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide (CID 110895980) is 2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide is CCC(CO)NC(=O)C(C)Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide?
The InChIKey is VHZACPQTYXQPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-3-9(7-17)16-13(18)8(2)19-10-4-5-11(14)12(15)6-10/h4-6,8-9,17H,3,7H2,1-2H3,(H,16,18).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide?
2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide has a molecular weight of 306.19 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide is sourced from PubChem (CID 110895980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).