3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide

C13H15Cl2NO2 — CID 115764583

IUPAC3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)NC1(CO)CC1
InChIInChI=1S/C13H15Cl2NO2/c14-10-3-1-9(11(15)7-10)2-4-12(18)16-13(8-17)5-6-13/h1,3,7,17H,2,4-6,8H2,(H,16,18)
InChIKeyACHNSVKXVPIQOD-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.57
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide

3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide (PubChem CID 115764583) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
PubChem CID115764583
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)NC1(CO)CC1
InChIInChI=1S/C13H15Cl2NO2/c14-10-3-1-9(11(15)7-10)2-4-12(18)16-13(8-17)5-6-13/h1,3,7,17H,2,4-6,8H2,(H,16,18)
InChIKeyACHNSVKXVPIQOD-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522174
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
2,4-dichloro-N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]benzamide
CID 86797002
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221
2-(2,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62522356
2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764608
1-chloro-4-(2,4-dichlorophenyl)butan-2-one
CID 20507775
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
N-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide
CID 113344785
3-(2,4-dichlorophenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428293
3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877535
3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115869909

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide (CID 115764583) is 3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide is O=C(CCc1ccc(Cl)cc1Cl)NC1(CO)CC1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The InChIKey is ACHNSVKXVPIQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-10-3-1-9(11(15)7-10)2-4-12(18)16-13(8-17)5-6-13/h1,3,7,17H,2,4-6,8H2,(H,16,18).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide has a molecular weight of 288.17 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide is sourced from PubChem (CID 115764583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).