N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide

C18H21FN2O2 — CID 11067056

IUPACN-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide
SMILESCC(O)c1nccc(-c2ccccc2NC(=O)C(C)(C)C)c1F
InChIInChI=1S/C18H21FN2O2/c1-11(22)16-15(19)13(9-10-20-16)12-7-5-6-8-14(12)21-17(23)18(2,3)4/h5-11,22H,1-4H3,(H,21,23)
InChIKeyNWVUAQGCTCDMNV-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.93
Rot. Bonds3

About N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide

N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 11067056) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide
PubChem CID11067056
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide
SMILESCC(O)c1nccc(-c2ccccc2NC(=O)C(C)(C)C)c1F
InChIInChI=1S/C18H21FN2O2/c1-11(22)16-15(19)13(9-10-20-16)12-7-5-6-8-14(12)21-17(23)18(2,3)4/h5-11,22H,1-4H3,(H,21,23)
InChIKeyNWVUAQGCTCDMNV-UHFFFAOYSA-N
XLogP3.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
CID 11822715
2,2-dimethyl-N-(2-propan-2-yl-3-pyridinyl)propanamide
CID 178129632
N-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide
CID 10712781
N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide
CID 11102364
2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide
CID 4170097
2-(2,3-difluoro-4-pyridinyl)-N-methylaniline
CID 154001326
N-[2-(1-hydroxyethyl)-3-pyridinyl]acetamide
CID 133062279
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
CID 60630209
N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
CID 114315470
N-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide
CID 159020962
2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 30333251

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide (CID 11067056) is N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide is CC(O)c1nccc(-c2ccccc2NC(=O)C(C)(C)C)c1F.
What is the InChIKey of N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is NWVUAQGCTCDMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-11(22)16-15(19)13(9-10-20-16)12-7-5-6-8-14(12)21-17(23)18(2,3)4/h5-11,22H,1-4H3,(H,21,23).
What are the key properties of N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide?
N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 316.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 11067056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).