N-[5-fluoro-2-[(5-fluoro-3-pyridinyl)methyl]phenyl]-2-methylpropanamide

C16H16F2N2O — CID 58459109

IUPACN-[5-fluoro-2-[(5-fluoro-3-pyridinyl)methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(F)ccc1Cc1cncc(F)c1
InChIInChI=1S/C16H16F2N2O/c1-10(2)16(21)20-15-7-13(17)4-3-12(15)5-11-6-14(18)9-19-8-11/h3-4,6-10H,5H2,1-2H3,(H,20,21)
InChIKeyUBAINYHTCSXHJH-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.55
Rot. Bonds4

About N-[5-fluoro-2-[(5-fluoro-3-pyridinyl)methyl]phenyl]-2-methylpropanamide

N-[5-fluoro-2-[(5-fluoro-3-pyridinyl)methyl]phenyl]-2-methylpropanamide (PubChem CID 58459109) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[5-fluoro-2-[(5-fluoro-3-pyridinyl)methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-fluoro-2-[(5-fluoro-3-pyridinyl)methyl]phenyl]-2-methylpropanamide
PubChem CID58459109
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-[5-fluoro-2-[(5-fluoro-3-pyridinyl)methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(F)ccc1Cc1cncc(F)c1
InChIInChI=1S/C16H16F2N2O/c1-10(2)16(21)20-15-7-13(17)4-3-12(15)5-11-6-14(18)9-19-8-11/h3-4,6-10H,5H2,1-2H3,(H,20,21)
InChIKeyUBAINYHTCSXHJH-UHFFFAOYSA-N
XLogP3.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-5-fluorophenyl)-2-methylpropanamide
CID 63257469
N-(2-ethyl-5-fluorophenyl)acetamide
CID 143900433
N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide
CID 39850982
2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide
CID 104953387
N-[2-hydroxy-4-[[3-hydroxy-4-(2-methylpropanoylamino)phenyl]methyl]phenyl]-2-methylpropanamide
CID 2203693
methyl 5-(5-fluoro-3-pyridinyl)-4-oxopentanoate
CID 63899877
tert-butyl N-[1-[5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]anilino]-1-oxopropan-2-yl]carbamate
CID 67433468
N-[2-[acetyl(cyclopropyl)amino]-5-fluorophenyl]-2-methylpropanamide
CID 113093144
N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119856694
2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide
CID 130719724
1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea
CID 82508247
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-[(5-fluoro-3-pyridinyl)methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[5-fluoro-2-[(5-fluoro-3-pyridinyl)methyl]phenyl]-2-methylpropanamide (CID 58459109) is N-[5-fluoro-2-[(5-fluoro-3-pyridinyl)methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-fluoro-2-[(5-fluoro-3-pyridinyl)methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[5-fluoro-2-[(5-fluoro-3-pyridinyl)methyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cc(F)ccc1Cc1cncc(F)c1.
What is the InChIKey of N-[5-fluoro-2-[(5-fluoro-3-pyridinyl)methyl]phenyl]-2-methylpropanamide?
The InChIKey is UBAINYHTCSXHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-10(2)16(21)20-15-7-13(17)4-3-12(15)5-11-6-14(18)9-19-8-11/h3-4,6-10H,5H2,1-2H3,(H,20,21).
What are the key properties of N-[5-fluoro-2-[(5-fluoro-3-pyridinyl)methyl]phenyl]-2-methylpropanamide?
N-[5-fluoro-2-[(5-fluoro-3-pyridinyl)methyl]phenyl]-2-methylpropanamide has a molecular weight of 290.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-[(5-fluoro-3-pyridinyl)methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 58459109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).