N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide

C27H30FN3O2 — CID 11102364

IUPACN-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccccc1-c1cnc(-c2ccccc2NC(=O)C(C)(C)C)c(F)c1
InChIInChI=1S/C27H30FN3O2/c1-26(2,3)24(32)30-21-13-9-7-11-18(21)17-15-20(28)23(29-16-17)19-12-8-10-14-22(19)31-25(33)27(4,5)6/h7-16H,1-6H3,(H,30,32)(H,31,33)
InChIKeyQGLBJKVNRWHRIS-UHFFFAOYSA-N
MW447.55 g/mol
LogP6.52
Rot. Bonds4

About N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide

N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 11102364) has the molecular formula C27H30FN3O2 and a molecular weight of 447.55 g/mol. Its IUPAC name is N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide
PubChem CID11102364
Molecular FormulaC27H30FN3O2
Molecular Weight447.55 g/mol
Exact Mass447.23
IUPAC NameN-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccccc1-c1cnc(-c2ccccc2NC(=O)C(C)(C)C)c(F)c1
InChIInChI=1S/C27H30FN3O2/c1-26(2,3)24(32)30-21-13-9-7-11-18(21)17-15-20(28)23(29-16-17)19-12-8-10-14-22(19)31-25(33)27(4,5)6/h7-16H,1-6H3,(H,30,32)(H,31,33)
InChIKeyQGLBJKVNRWHRIS-UHFFFAOYSA-N
XLogP6.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.55
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide
CID 4170097
N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
CID 11822715
N-[2-[3-fluoro-2-(1-hydroxyethyl)-4-pyridinyl]phenyl]-2,2-dimethylpropanamide
CID 11067056
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
N-[3-(1,3-benzothiazol-5-yl)-2-methylphenyl]-2,2-dimethylpropanamide
CID 146436189
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-(2-phenylphenyl)propanamide
CID 10590975
2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 30333251
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
N-(2-fluoro-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 64795167
N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
CID 60630209
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide
CID 126755030

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide (CID 11102364) is N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccccc1-c1cnc(-c2ccccc2NC(=O)C(C)(C)C)c(F)c1.
What is the InChIKey of N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is QGLBJKVNRWHRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O2/c1-26(2,3)24(32)30-21-13-9-7-11-18(21)17-15-20(28)23(29-16-17)19-12-8-10-14-22(19)31-25(33)27(4,5)6/h7-16H,1-6H3,(H,30,32)(H,31,33).
What are the key properties of N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide?
N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 447.55 g/mol, XLogP of 6.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[2-(2,2-dimethylpropanoylamino)phenyl]-5-fluoro-3-pyridinyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 11102364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).