N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide

C14H21FN2O2 — CID 111750362

IUPACN-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
SMILESCC(C(=O)Nc1ccccc1F)N(C)CC(C)(C)O
InChIInChI=1S/C14H21FN2O2/c1-10(17(4)9-14(2,3)19)13(18)16-12-8-6-5-7-11(12)15/h5-8,10,19H,9H2,1-4H3,(H,16,18)
InChIKeySCOWYXBRBMYPLK-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.86
Rot. Bonds5

About N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide

N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide (PubChem CID 111750362) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
PubChem CID111750362
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
SMILESCC(C(=O)Nc1ccccc1F)N(C)CC(C)(C)O
InChIInChI=1S/C14H21FN2O2/c1-10(17(4)9-14(2,3)19)13(18)16-12-8-6-5-7-11(12)15/h5-8,10,19H,9H2,1-4H3,(H,16,18)
InChIKeySCOWYXBRBMYPLK-UHFFFAOYSA-N
XLogP1.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide
CID 79390383
(2R)-N-(2-fluorophenyl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 51932634
(2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 8009004
N-(2-fluorophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 46801756
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750320
N-(2,5-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750380
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 27072122
4-[[[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 34635086
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide (CID 111750362) is N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide is CC(C(=O)Nc1ccccc1F)N(C)CC(C)(C)O.
What is the InChIKey of N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
The InChIKey is SCOWYXBRBMYPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-10(17(4)9-14(2,3)19)13(18)16-12-8-6-5-7-11(12)15/h5-8,10,19H,9H2,1-4H3,(H,16,18).
What are the key properties of N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide?
N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide has a molecular weight of 268.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide is sourced from PubChem (CID 111750362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).