N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide

C18H14F2N2O3 — CID 111537177

IUPACN-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide
SMILESO=C(Nc1ccc(OC(F)F)c2ncccc12)C(O)c1ccccc1
InChIInChI=1S/C18H14F2N2O3/c19-18(20)25-14-9-8-13(12-7-4-10-21-15(12)14)22-17(24)16(23)11-5-2-1-3-6-11/h1-10,16,18,23H,(H,22,24)
InChIKeyYIJXXFAKTCPDJS-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.51
Rot. Bonds5

About N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide

N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide (PubChem CID 111537177) has the molecular formula C18H14F2N2O3 and a molecular weight of 344.32 g/mol. Its IUPAC name is N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide
PubChem CID111537177
Molecular FormulaC18H14F2N2O3
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC NameN-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide
SMILESO=C(Nc1ccc(OC(F)F)c2ncccc12)C(O)c1ccccc1
InChIInChI=1S/C18H14F2N2O3/c19-18(20)25-14-9-8-13(12-7-4-10-21-15(12)14)22-17(24)16(23)11-5-2-1-3-6-11/h1-10,16,18,23H,(H,22,24)
InChIKeyYIJXXFAKTCPDJS-UHFFFAOYSA-N
XLogP3.51
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[8-(difluoromethoxy)quinolin-5-yl]-1,1-diethylurea
CID 60554221
3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid
CID 122077436
N-[8-(difluoromethoxy)quinolin-5-yl]-2-[(2R)-oxolan-2-yl]acetamide
CID 99842569
1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea
CID 60549695
(3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide
CID 95665624
1-benzyl-3-[8-(difluoromethoxy)quinolin-5-yl]-1-(4-methoxybutyl)urea
CID 60582989
1-[8-(difluoromethoxy)quinolin-5-yl]cyclopropane-1-carboxylic acid
CID 177268873
N-[8-(difluoromethoxy)quinolin-5-yl]-5-nitrothiophene-3-carboxamide
CID 71888381
N-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 71888385
[5-(phenylcarbamoylamino)quinolin-8-yl] N-phenylcarbamate
CID 71393726
1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea
CID 51945829
2-ethyl-N-(8-methoxyquinolin-5-yl)butanamide
CID 26823136

Frequently Asked Questions

What is the IUPAC name of N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide (CID 111537177) is N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide is O=C(Nc1ccc(OC(F)F)c2ncccc12)C(O)c1ccccc1.
What is the InChIKey of N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide?
The InChIKey is YIJXXFAKTCPDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3/c19-18(20)25-14-9-8-13(12-7-4-10-21-15(12)14)22-17(24)16(23)11-5-2-1-3-6-11/h1-10,16,18,23H,(H,22,24).
What are the key properties of N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide?
N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide has a molecular weight of 344.32 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 111537177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).