N-(3,4-dichlorophenyl)-2-hydroxy-2-(4-hydroxyoxan-4-yl)acetamide

C13H15Cl2NO4 — CID 167903946

IUPACN-(3,4-dichlorophenyl)-2-hydroxy-2-(4-hydroxyoxan-4-yl)acetamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C(O)C1(O)CCOCC1
InChIInChI=1S/C13H15Cl2NO4/c14-9-2-1-8(7-10(9)15)16-12(18)11(17)13(19)3-5-20-6-4-13/h1-2,7,11,17,19H,3-6H2,(H,16,18)
InChIKeyQOCFBFSQYSWZCO-UHFFFAOYSA-N
MW320.17 g/mol
LogP1.83
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-hydroxy-2-(4-hydroxyoxan-4-yl)acetamide

N-(3,4-dichlorophenyl)-2-hydroxy-2-(4-hydroxyoxan-4-yl)acetamide (PubChem CID 167903946) has the molecular formula C13H15Cl2NO4 and a molecular weight of 320.17 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-hydroxy-2-(4-hydroxyoxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-hydroxy-2-(4-hydroxyoxan-4-yl)acetamide
PubChem CID167903946
Molecular FormulaC13H15Cl2NO4
Molecular Weight320.17 g/mol
Exact Mass319.04
IUPAC NameN-(3,4-dichlorophenyl)-2-hydroxy-2-(4-hydroxyoxan-4-yl)acetamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C(O)C1(O)CCOCC1
InChIInChI=1S/C13H15Cl2NO4/c14-9-2-1-8(7-10(9)15)16-12(18)11(17)13(19)3-5-20-6-4-13/h1-2,7,11,17,19H,3-6H2,(H,16,18)
InChIKeyQOCFBFSQYSWZCO-UHFFFAOYSA-N
XLogP1.83
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)propanamide
CID 136538281
N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
CID 71801658
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
N'-(3-chloro-4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]oxamide
CID 90534235
4-(3,4-dichlorophenyl)oxane-4-carboxylic acid
CID 43164279
1-(3-chloro-4-methylphenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 78929604
2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 70963721
1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]-4-morpholin-4-ylsulfonylphenyl]urea
CID 3541124
4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120922590
4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-chlorobenzoic acid
CID 115439486
N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456922

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-hydroxy-2-(4-hydroxyoxan-4-yl)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-hydroxy-2-(4-hydroxyoxan-4-yl)acetamide (CID 167903946) is N-(3,4-dichlorophenyl)-2-hydroxy-2-(4-hydroxyoxan-4-yl)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-hydroxy-2-(4-hydroxyoxan-4-yl)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-hydroxy-2-(4-hydroxyoxan-4-yl)acetamide is O=C(Nc1ccc(Cl)c(Cl)c1)C(O)C1(O)CCOCC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-hydroxy-2-(4-hydroxyoxan-4-yl)acetamide?
The InChIKey is QOCFBFSQYSWZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4/c14-9-2-1-8(7-10(9)15)16-12(18)11(17)13(19)3-5-20-6-4-13/h1-2,7,11,17,19H,3-6H2,(H,16,18).
What are the key properties of N-(3,4-dichlorophenyl)-2-hydroxy-2-(4-hydroxyoxan-4-yl)acetamide?
N-(3,4-dichlorophenyl)-2-hydroxy-2-(4-hydroxyoxan-4-yl)acetamide has a molecular weight of 320.17 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-hydroxy-2-(4-hydroxyoxan-4-yl)acetamide is sourced from PubChem (CID 167903946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).