3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide

C12H15Cl2NO2 — CID 140979180

IUPAC3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide
SMILESCNC(=O)CC(CCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-15-12(17)7-9(4-5-16)8-2-3-10(13)11(14)6-8/h2-3,6,9,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyYNANFHGJQSCPFW-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.60
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide

3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide (PubChem CID 140979180) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide
PubChem CID140979180
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide
SMILESCNC(=O)CC(CCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-15-12(17)7-9(4-5-16)8-2-3-10(13)11(14)6-8/h2-3,6,9,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyYNANFHGJQSCPFW-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 10824416
(3S)-3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 20794252
3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64814917
3-(3,4-dichlorophenyl)-5-hydroxy-N-(4-methoxyphenyl)-N-methylpentanamide
CID 19029316
3-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83931252
2-[[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772386
3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 19029342
3-(4-chlorophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82132170
3-(3,4-dichlorophenyl)-N-(methoxymethyl)-5-oxopentanamide
CID 57022891
3-(3,4-dimethylphenyl)-N-methylpentanamide
CID 82079638
4-chloro-4-(3,4-dichlorophenyl)butan-1-ol
CID 82366996
(4S)-4-(3,4-dichlorophenyl)-4-hydroxybutan-2-one
CID 101046383

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide (CID 140979180) is 3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide is CNC(=O)CC(CCO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide?
The InChIKey is YNANFHGJQSCPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-15-12(17)7-9(4-5-16)8-2-3-10(13)11(14)6-8/h2-3,6,9,16H,4-5,7H2,1H3,(H,15,17).
What are the key properties of 3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide?
3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide has a molecular weight of 276.16 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide is sourced from PubChem (CID 140979180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).