N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide

C21H27FN2O — CID 4879414

IUPACN-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
SMILESCCC(C)c1ccccc1NC(=O)C(C)N(C)Cc1ccccc1F
InChIInChI=1S/C21H27FN2O/c1-5-15(2)18-11-7-9-13-20(18)23-21(25)16(3)24(4)14-17-10-6-8-12-19(17)22/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)
InChIKeyADGWYZAXVIOGRE-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.80
Rot. Bonds7

About N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide

N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide (PubChem CID 4879414) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
PubChem CID4879414
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC NameN-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
SMILESCCC(C)c1ccccc1NC(=O)C(C)N(C)Cc1ccccc1F
InChIInChI=1S/C21H27FN2O/c1-5-15(2)18-11-7-9-13-20(18)23-21(25)16(3)24(4)14-17-10-6-8-12-19(17)22/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)
InChIKeyADGWYZAXVIOGRE-UHFFFAOYSA-N
XLogP4.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815
(2R)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 8517845
(2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517865
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9252915
(2S)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 2498448
N-(2-butan-2-ylphenyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
CID 111462556
(2R)-N-(2-fluorophenyl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 51932634
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053428
3-[(2-fluorophenyl)methyl-methylamino]butan-2-one
CID 62037501
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide (CID 4879414) is N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide is CCC(C)c1ccccc1NC(=O)C(C)N(C)Cc1ccccc1F.
What is the InChIKey of N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide?
The InChIKey is ADGWYZAXVIOGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-5-15(2)18-11-7-9-13-20(18)23-21(25)16(3)24(4)14-17-10-6-8-12-19(17)22/h6-13,15-16H,5,14H2,1-4H3,(H,23,25).
What are the key properties of N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide?
N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide has a molecular weight of 342.46 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 4879414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).