3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide

C13H18ClNO2 — CID 43418633

IUPAC3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide
SMILESCc1ccc(CCC(=O)NC(C)CO)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-9-3-4-11(7-12(9)14)5-6-13(17)15-10(2)8-16/h3-4,7,10,16H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyNLQNOGGYNTVROU-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.08
Rot. Bonds5

About 3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide

3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide (PubChem CID 43418633) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide
PubChem CID43418633
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide
SMILESCc1ccc(CCC(=O)NC(C)CO)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-9-3-4-11(7-12(9)14)5-6-13(17)15-10(2)8-16/h3-4,7,10,16H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyNLQNOGGYNTVROU-UHFFFAOYSA-N
XLogP2.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027775
3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 110306883
3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide
CID 42925205
(2S)-2-[3-(3-chloro-4-methylphenyl)propanoylamino]hexanoic acid
CID 107144182
3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418758
3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide
CID 106166158
3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 30537602
3-(3-chloro-4-methylphenyl)-N-(1-pyridin-3-ylethyl)propanamide
CID 24642247
2-[3-(3,4-dichlorophenyl)propanoylamino]propanoic acid
CID 119225556
3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 107210300
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-chloro-4-methylphenyl)propanamide
CID 18143648
3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 100573076

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide (CID 43418633) is 3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide is Cc1ccc(CCC(=O)NC(C)CO)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide?
The InChIKey is NLQNOGGYNTVROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9-3-4-11(7-12(9)14)5-6-13(17)15-10(2)8-16/h3-4,7,10,16H,5-6,8H2,1-2H3,(H,15,17).
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide?
3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide has a molecular weight of 255.74 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide is sourced from PubChem (CID 43418633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).