N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide

C11H14ClNO3 — CID 170829480

IUPACN-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3/c1-7(14)13-6-10(15)11(16)8-2-4-9(12)5-3-8/h2-5,10-11,15-16H,6H2,1H3,(H,13,14)
InChIKeyHIZPZJOEIUWYLS-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.87
Rot. Bonds4

About N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170829480) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170829480
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC NameN-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3/c1-7(14)13-6-10(15)11(16)8-2-4-9(12)5-3-8/h2-5,10-11,15-16H,6H2,1H3,(H,13,14)
InChIKeyHIZPZJOEIUWYLS-UHFFFAOYSA-N
XLogP0.87
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
4-(3-acetamido-1,2-dihydroxypropyl)benzoic acid
CID 170829918
tert-butyl N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831537
N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830453
[4-(3-acetamido-1,2-dihydroxypropyl)phenyl] acetate
CID 170831378
N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831226
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830578
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,3-dihydroxypropyl]acetamide
CID 170829578
N-[2,3-dihydroxy-3-(6-methyl-3-pyridinyl)propyl]acetamide
CID 170829544
1-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]cyclopropane-1-carboxylic acid
CID 170830862
N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
CID 170829458
N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829889

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide (CID 170829480) is N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is HIZPZJOEIUWYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-7(14)13-6-10(15)11(16)8-2-4-9(12)5-3-8/h2-5,10-11,15-16H,6H2,1H3,(H,13,14).
What are the key properties of N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 243.69 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170829480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).