3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide

C13H17ClN2O3 — CID 106166158

IUPAC3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide
SMILESCc1ccc(CCC(=O)NCC(O)C(N)=O)cc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-8-2-3-9(6-10(8)14)4-5-12(18)16-7-11(17)13(15)19/h2-3,6,11,17H,4-5,7H2,1H3,(H2,15,19)(H,16,18)
InChIKeyYMBFWSXFPJNIID-UHFFFAOYSA-N
MW284.74 g/mol
LogP0.54
Rot. Bonds6

About 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide

3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide (PubChem CID 106166158) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide
PubChem CID106166158
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide
SMILESCc1ccc(CCC(=O)NCC(O)C(N)=O)cc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-8-2-3-9(6-10(8)14)4-5-12(18)16-7-11(17)13(15)19/h2-3,6,11,17H,4-5,7H2,1H3,(H2,15,19)(H,16,18)
InChIKeyYMBFWSXFPJNIID-UHFFFAOYSA-N
XLogP0.54
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide
CID 114152434
3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]propanoylamino]-2-hydroxypropanamide
CID 173118647
3-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107261200
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-hydroxypropanoate
CID 103957889
3-(3-chloro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027775
3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418633
N-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide
CID 113227506
3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide
CID 103843609
3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 24643835
3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide
CID 32770995
3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46679807
3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
CID 120831265

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide (CID 106166158) is 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide is Cc1ccc(CCC(=O)NCC(O)C(N)=O)cc1Cl.
What is the InChIKey of 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide?
The InChIKey is YMBFWSXFPJNIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-8-2-3-9(6-10(8)14)4-5-12(18)16-7-11(17)13(15)19/h2-3,6,11,17H,4-5,7H2,1H3,(H2,15,19)(H,16,18).
What are the key properties of 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide?
3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide has a molecular weight of 284.74 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106166158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).