3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide

C13H17Cl2NO3 — CID 65109633

IUPAC3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCC(C)(O)CNC(=O)CCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO3/c1-13(2,18)8-16-12(17)5-6-19-9-3-4-10(14)11(15)7-9/h3-4,7,18H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyXYFLJWPRPSFCEI-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.65
Rot. Bonds6

About 3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide

3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide (PubChem CID 65109633) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
PubChem CID65109633
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCC(C)(O)CNC(=O)CCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO3/c1-13(2,18)8-16-12(17)5-6-19-9-3-4-10(14)11(15)7-9/h3-4,7,18H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyXYFLJWPRPSFCEI-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

3-(3,4-dichlorophenoxy)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide
CID 55933060
3-(3,4-dichlorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 107846232
(2S)-3-[3-(3,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107832849
2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 103839864
4-[3-(3,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 81064443
3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
CID 55609644
3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 61021525
2-[3-(3,4-dichlorophenoxy)propanoylamino]-3-methoxypropanoic acid
CID 81084815
N-[2-(3,4-dichlorophenoxy)ethyl]acetamide
CID 51066305
4-(3,4-dichlorophenoxy)-1-hydroxybutan-2-one
CID 95459695
3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877535
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110229

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide?
The IUPAC name of 3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide (CID 65109633) is 3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide is CC(C)(O)CNC(=O)CCOc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide?
The InChIKey is XYFLJWPRPSFCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-13(2,18)8-16-12(17)5-6-19-9-3-4-10(14)11(15)7-9/h3-4,7,18H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide?
3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)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 3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 65109633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).