3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide

C13H15Cl2NO3 — CID 115877535

IUPAC3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
SMILESO=C(CCOc1ccc(Cl)c(Cl)c1)NC1(CO)CC1
InChIInChI=1S/C13H15Cl2NO3/c14-10-2-1-9(7-11(10)15)19-6-3-12(18)16-13(8-17)4-5-13/h1-2,7,17H,3-6,8H2,(H,16,18)
InChIKeyHVSFMEILTRKPKF-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.40
Rot. Bonds6

About 3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide

3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide (PubChem CID 115877535) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
PubChem CID115877535
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
SMILESO=C(CCOc1ccc(Cl)c(Cl)c1)NC1(CO)CC1
InChIInChI=1S/C13H15Cl2NO3/c14-10-2-1-9(7-11(10)15)19-6-3-12(18)16-13(8-17)4-5-13/h1-2,7,17H,3-6,8H2,(H,16,18)
InChIKeyHVSFMEILTRKPKF-UHFFFAOYSA-N
XLogP2.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877589
3-(3,4-dichlorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 107846232
N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
CID 115878186
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503
2-[3-(3,4-dichlorophenoxy)propanoylamino]-4-hydroxybutanoic acid
CID 61242581
4-(3,4-dichlorophenoxy)-1-hydroxybutan-2-one
CID 95459695
(2S)-3-[3-(3,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107832849
4-[3-(3,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 81064443
2-[3-(3,4-dichlorophenoxy)propanoylamino]-3-methoxypropanoic acid
CID 81084815
3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109633
3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106296660
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide (CID 115877535) is 3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide is O=C(CCOc1ccc(Cl)c(Cl)c1)NC1(CO)CC1.
What is the InChIKey of 3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The InChIKey is HVSFMEILTRKPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c14-10-2-1-9(7-11(10)15)19-6-3-12(18)16-13(8-17)4-5-13/h1-2,7,17H,3-6,8H2,(H,16,18).
What are the key properties of 3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide has a molecular weight of 304.17 g/mol, XLogP of 2.40, 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-[1-(hydroxymethyl)cyclopropyl]propanamide is sourced from PubChem (CID 115877535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).