(2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide

C12H14F4N2O — CID 107641670

IUPAC(2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H14F4N2O/c1-5(2)3-8(17)12(19)18-11-9(15)6(13)4-7(14)10(11)16/h4-5,8H,3,17H2,1-2H3,(H,18,19)/t8-/m0/s1
InChIKeyBYDPZIKNJCWUFI-QMMMGPOBSA-N
MW278.25 g/mol
LogP2.55
Rot. Bonds4

About (2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide

(2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide (PubChem CID 107641670) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide
PubChem CID107641670
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC Name(2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H14F4N2O/c1-5(2)3-8(17)12(19)18-11-9(15)6(13)4-7(14)10(11)16/h4-5,8H,3,17H2,1-2H3,(H,18,19)/t8-/m0/s1
InChIKeyBYDPZIKNJCWUFI-QMMMGPOBSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 115564487
(2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide
CID 104903642
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide
CID 83079399
4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid
CID 107641748
2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide
CID 24697513
(2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide
CID 107641656
(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
CID 28991563
(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 107611929
2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107646145
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzoic acid
CID 61180473
3-[(2-amino-4-methylpentanoyl)amino]-5-fluoro-4-methylbenzamide
CID 43713949
3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide
CID 104902798

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide (CID 107641670) is (2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide is CC(C)C[C@H](N)C(=O)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide?
The InChIKey is BYDPZIKNJCWUFI-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-5(2)3-8(17)12(19)18-11-9(15)6(13)4-7(14)10(11)16/h4-5,8H,3,17H2,1-2H3,(H,18,19)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide?
(2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide has a molecular weight of 278.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide is sourced from PubChem (CID 107641670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).