(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide

C14H21FN2O — CID 79024949

IUPAC(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
SMILESCC[C@H](N)C(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H21FN2O/c1-4-12(16)14(18)17-13(9(2)3)10-5-7-11(15)8-6-10/h5-9,12-13H,4,16H2,1-3H3,(H,17,18)/t12-,13?/m0/s1
InChIKeyHBXBIVQMYCQKAU-UEWDXFNNSA-N
MW252.33 g/mol
LogP2.38
Rot. Bonds5

About (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide

(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide (PubChem CID 79024949) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
PubChem CID79024949
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
SMILESCC[C@H](N)C(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H21FN2O/c1-4-12(16)14(18)17-13(9(2)3)10-5-7-11(15)8-6-10/h5-9,12-13H,4,16H2,1-3H3,(H,17,18)/t12-,13?/m0/s1
InChIKeyHBXBIVQMYCQKAU-UEWDXFNNSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 61180745
(2S)-2-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]butanamide
CID 79024176
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
3-(ethylamino)-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 62851825
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 54924560
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide
CID 112685671
2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]butanoic acid
CID 113292395
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179
(2S)-2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 79024579
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 43703533
3-amino-4-[(2-methyl-1-phenylpropyl)amino]-4-oxobutanoic acid
CID 64896854

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide (CID 79024949) is (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide is CC[C@H](N)C(=O)NC(c1ccc(F)cc1)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide?
The InChIKey is HBXBIVQMYCQKAU-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-12(16)14(18)17-13(9(2)3)10-5-7-11(15)8-6-10/h5-9,12-13H,4,16H2,1-3H3,(H,17,18)/t12-,13?/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide?
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide has a molecular weight of 252.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide is sourced from PubChem (CID 79024949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).