2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide

C12H16ClNO4 — CID 65312632

IUPAC2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)NC(CO)CO
InChIInChI=1S/C12H16ClNO4/c1-18-11-3-2-9(13)4-8(11)5-12(17)14-10(6-15)7-16/h2-4,10,15-16H,5-7H2,1H3,(H,14,17)
InChIKeyFQSSHZWHQYJGMD-UHFFFAOYSA-N
MW273.72 g/mol
LogP0.36
Rot. Bonds6

About 2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide

2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide (PubChem CID 65312632) has the molecular formula C12H16ClNO4 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
PubChem CID65312632
Molecular FormulaC12H16ClNO4
Molecular Weight273.72 g/mol
Exact Mass273.08
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)NC(CO)CO
InChIInChI=1S/C12H16ClNO4/c1-18-11-3-2-9(13)4-8(11)5-12(17)14-10(6-15)7-16/h2-4,10,15-16H,5-7H2,1H3,(H,14,17)
InChIKeyFQSSHZWHQYJGMD-UHFFFAOYSA-N
XLogP0.36
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 113351921
2-(5-chloro-2-methoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103801277
2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]butanoic acid
CID 43388208
2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9092722
(2R)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-4-methylpentanoic acid
CID 78975845
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 107563797
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61143813
2-(5-chloro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 8866171
2-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 17423898
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]hexanoic acid
CID 107144268
2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide
CID 60700587
2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 110767257

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide (CID 65312632) is 2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide is COc1ccc(Cl)cc1CC(=O)NC(CO)CO.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide?
The InChIKey is FQSSHZWHQYJGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4/c1-18-11-3-2-9(13)4-8(11)5-12(17)14-10(6-15)7-16/h2-4,10,15-16H,5-7H2,1H3,(H,14,17).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide?
2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide has a molecular weight of 273.72 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)acetamide is sourced from PubChem (CID 65312632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).