(2S)-N-(4-fluorophenyl)-2-methylbutanamide

C11H14FNO — CID 838022

IUPAC(2S)-N-(4-fluorophenyl)-2-methylbutanamide
SMILESCC[C@H](C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H14FNO/c1-3-8(2)11(14)13-10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyAWRKHMDZPRHWDN-QMMMGPOBSA-N
MW195.24 g/mol
LogP2.81
Rot. Bonds3

About (2S)-N-(4-fluorophenyl)-2-methylbutanamide

(2S)-N-(4-fluorophenyl)-2-methylbutanamide (PubChem CID 838022) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-methylbutanamide
PubChem CID838022
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(2S)-N-(4-fluorophenyl)-2-methylbutanamide
SMILESCC[C@H](C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H14FNO/c1-3-8(2)11(14)13-10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyAWRKHMDZPRHWDN-QMMMGPOBSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide
CID 42926088
3-cyano-N-(4-fluorophenyl)-2-methylpropanamide
CID 82112843
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
ethyl 3-(4-fluoroanilino)-2-methyl-3-oxopropanoate
CID 67507786
3-(4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 67508161
2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
CID 56832255
methyl 4-[[(2S)-2-methylbutanoyl]amino]benzoate
CID 838061
2-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 51331498
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide
CID 42948482
2-ethyl-N-(4-fluorophenyl)heptanamide
CID 130290912

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-methylbutanamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-methylbutanamide (CID 838022) is (2S)-N-(4-fluorophenyl)-2-methylbutanamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-methylbutanamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-methylbutanamide is CC[C@H](C)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-methylbutanamide?
The InChIKey is AWRKHMDZPRHWDN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14FNO/c1-3-8(2)11(14)13-10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-methylbutanamide?
(2S)-N-(4-fluorophenyl)-2-methylbutanamide has a molecular weight of 195.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-methylbutanamide is sourced from PubChem (CID 838022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).