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

C12H13F5N2O — CID 115564487

IUPAC(2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H13F5N2O/c1-4(2)3-5(18)12(20)19-11-9(16)7(14)6(13)8(15)10(11)17/h4-5H,3,18H2,1-2H3,(H,19,20)/t5-/m0/s1
InChIKeyPQHSMKMRWKRPDN-YFKPBYRVSA-N
MW296.24 g/mol
LogP2.69
Rot. Bonds4

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

(2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide (PubChem CID 115564487) has the molecular formula C12H13F5N2O and a molecular weight of 296.24 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
PubChem CID115564487
Molecular FormulaC12H13F5N2O
Molecular Weight296.24 g/mol
Exact Mass296.09
IUPAC Name(2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H13F5N2O/c1-4(2)3-5(18)12(20)19-11-9(16)7(14)6(13)8(15)10(11)17/h4-5H,3,18H2,1-2H3,(H,19,20)/t5-/m0/s1
InChIKeyPQHSMKMRWKRPDN-YFKPBYRVSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide
CID 107641670
(2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide
CID 104903642
(2R)-2-amino-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 107570332
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide
CID 83079399
2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide
CID 24697513
(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 107611929
(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
CID 28991563
4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide
CID 115564436
2-amino-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
CID 61252272
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 113336694
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide (CID 115564487) is (2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide is CC(C)C[C@H](N)C(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide?
The InChIKey is PQHSMKMRWKRPDN-YFKPBYRVSA-N. The full InChI is InChI=1S/C12H13F5N2O/c1-4(2)3-5(18)12(20)19-11-9(16)7(14)6(13)8(15)10(11)17/h4-5H,3,18H2,1-2H3,(H,19,20)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide?
(2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide has a molecular weight of 296.24 g/mol, XLogP of 2.69, 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-(2,3,4,5,6-pentafluorophenyl)pentanamide is sourced from PubChem (CID 115564487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).