(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide

C12H16FNO — CID 94606450

IUPAC(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-3-9(2)12(15)14-8-10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyJHIXCTOJMBCALG-SECBINFHSA-N
MW209.26 g/mol
LogP2.49
Rot. Bonds4

About (2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide

(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide (PubChem CID 94606450) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
PubChem CID94606450
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-3-9(2)12(15)14-8-10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyJHIXCTOJMBCALG-SECBINFHSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 24695966
2-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 47191115
(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide
CID 51946192
(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
CID 143947459
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
N'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide
CID 47141193
(2S)-2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 7478812
2-(carbamoylamino)-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 3934919
N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 25474927
(2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide
CID 38214366
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide
CID 44996874

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide (CID 94606450) is (2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide is CC[C@@H](C)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of (2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide?
The InChIKey is JHIXCTOJMBCALG-SECBINFHSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-9(2)12(15)14-8-10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide?
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide has a molecular weight of 209.26 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide is sourced from PubChem (CID 94606450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).