2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide

C16H17ClN2O2 — CID 99973874

IUPAC2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
SMILESC[C@H](Cc1cccnc1)NC(=O)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-11(7-13-3-2-6-18-10-13)19-16(21)9-12-4-5-15(20)14(17)8-12/h2-6,8,10-11,20H,7,9H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyJMXMDNPKFGCLSJ-LLVKDONJSA-N
MW304.78 g/mol
LogP2.73
Rot. Bonds5

About 2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide

2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide (PubChem CID 99973874) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
PubChem CID99973874
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
SMILESC[C@H](Cc1cccnc1)NC(=O)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-11(7-13-3-2-6-18-10-13)19-16(21)9-12-4-5-15(20)14(17)8-12/h2-6,8,10-11,20H,7,9H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyJMXMDNPKFGCLSJ-LLVKDONJSA-N
XLogP2.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
CID 99926874
2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide
CID 91783750
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
CID 82110099
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
3-(3,4-dimethylphenyl)-N-(1-pyridin-3-ylpropan-2-yl)propanamide
CID 86286437
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide
CID 165405389
3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)propanamide
CID 131916256
N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide
CID 42961637
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide (CID 99973874) is 2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide is C[C@H](Cc1cccnc1)NC(=O)Cc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide?
The InChIKey is JMXMDNPKFGCLSJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(7-13-3-2-6-18-10-13)19-16(21)9-12-4-5-15(20)14(17)8-12/h2-6,8,10-11,20H,7,9H2,1H3,(H,19,21)/t11-/m1/s1.
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide?
2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide has a molecular weight of 304.78 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide is sourced from PubChem (CID 99973874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).