N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide

C12H14N2O3 — CID 55178587

IUPACN-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CC(O)C2)c1
InChIInChI=1S/C12H14N2O3/c1-8(15)13-10-4-2-3-9(5-10)12(17)14-6-11(16)7-14/h2-5,11,16H,6-7H2,1H3,(H,13,15)
InChIKeySFGSUYJZPRUPRJ-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.46
Rot. Bonds2

About N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide

N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide (PubChem CID 55178587) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide
PubChem CID55178587
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CC(O)C2)c1
InChIInChI=1S/C12H14N2O3/c1-8(15)13-10-4-2-3-9(5-10)12(17)14-6-11(16)7-14/h2-5,11,16H,6-7H2,1H3,(H,13,15)
InChIKeySFGSUYJZPRUPRJ-UHFFFAOYSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 106671409
N-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 110662564
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
N-[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 111561910
(3S,4S)-1-(3-acetamidobenzoyl)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 166317665
4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38724570
N-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]acetamide
CID 120744908
(3-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106751
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909
methyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 110808690

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide (CID 55178587) is N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CC(O)C2)c1.
What is the InChIKey of N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide?
The InChIKey is SFGSUYJZPRUPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(15)13-10-4-2-3-9(5-10)12(17)14-6-11(16)7-14/h2-5,11,16H,6-7H2,1H3,(H,13,15).
What are the key properties of N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide?
N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide has a molecular weight of 234.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 55178587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).