(4S)-4-chloro-2-ethyl-5,5-difluoro-4-methyl-N-propylpentanamide

C11H20ClF2NO — CID 134548781

IUPAC(4S)-4-chloro-2-ethyl-5,5-difluoro-4-methyl-N-propylpentanamide
SMILESCCCNC(=O)C(CC)C[C@](C)(Cl)C(F)F
InChIInChI=1S/C11H20ClF2NO/c1-4-6-15-9(16)8(5-2)7-11(3,12)10(13)14/h8,10H,4-7H2,1-3H3,(H,15,16)/t8?,11-/m0/s1
InChIKeyMFAWUSSPOUDUSI-LYNSQETBSA-N
MW255.74 g/mol
LogP3.19
Rot. Bonds7

About (4S)-4-chloro-2-ethyl-5,5-difluoro-4-methyl-N-propylpentanamide

(4S)-4-chloro-2-ethyl-5,5-difluoro-4-methyl-N-propylpentanamide (PubChem CID 134548781) has the molecular formula C11H20ClF2NO and a molecular weight of 255.74 g/mol. Its IUPAC name is (4S)-4-chloro-2-ethyl-5,5-difluoro-4-methyl-N-propylpentanamide.

Molecular Properties

Compound Name(4S)-4-chloro-2-ethyl-5,5-difluoro-4-methyl-N-propylpentanamide
PubChem CID134548781
Molecular FormulaC11H20ClF2NO
Molecular Weight255.74 g/mol
Exact Mass255.12
IUPAC Name(4S)-4-chloro-2-ethyl-5,5-difluoro-4-methyl-N-propylpentanamide
SMILESCCCNC(=O)C(CC)C[C@](C)(Cl)C(F)F
InChIInChI=1S/C11H20ClF2NO/c1-4-6-15-9(16)8(5-2)7-11(3,12)10(13)14/h8,10H,4-7H2,1-3H3,(H,15,16)/t8?,11-/m0/s1
InChIKeyMFAWUSSPOUDUSI-LYNSQETBSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide
CID 166866622
2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide
CID 163592368
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
2-tert-butyl-4,4-dimethyl-N-propylpentanamide
CID 121265105
2-ethyl-N-pentylhexanamide
CID 5123867
2-iodo-N-propylpropanamide
CID 64787589
ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide
CID 143641888
3,3-dimethyl-N-propyl-2-sulfanylbutanamide
CID 143641927
2-ethyl-N,4,4-trimethylpentanamide;propane
CID 144536587
propane;2,3,3-trimethyl-N-propylbutanamide
CID 143577775
N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide
CID 115365004
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339

Frequently Asked Questions

What is the IUPAC name of (4S)-4-chloro-2-ethyl-5,5-difluoro-4-methyl-N-propylpentanamide?
The IUPAC name of (4S)-4-chloro-2-ethyl-5,5-difluoro-4-methyl-N-propylpentanamide (CID 134548781) is (4S)-4-chloro-2-ethyl-5,5-difluoro-4-methyl-N-propylpentanamide.
What is the SMILES notation for (4S)-4-chloro-2-ethyl-5,5-difluoro-4-methyl-N-propylpentanamide?
The canonical SMILES for (4S)-4-chloro-2-ethyl-5,5-difluoro-4-methyl-N-propylpentanamide is CCCNC(=O)C(CC)C[C@](C)(Cl)C(F)F.
What is the InChIKey of (4S)-4-chloro-2-ethyl-5,5-difluoro-4-methyl-N-propylpentanamide?
The InChIKey is MFAWUSSPOUDUSI-LYNSQETBSA-N. The full InChI is InChI=1S/C11H20ClF2NO/c1-4-6-15-9(16)8(5-2)7-11(3,12)10(13)14/h8,10H,4-7H2,1-3H3,(H,15,16)/t8?,11-/m0/s1.
What are the key properties of (4S)-4-chloro-2-ethyl-5,5-difluoro-4-methyl-N-propylpentanamide?
(4S)-4-chloro-2-ethyl-5,5-difluoro-4-methyl-N-propylpentanamide has a molecular weight of 255.74 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-chloro-2-ethyl-5,5-difluoro-4-methyl-N-propylpentanamide is sourced from PubChem (CID 134548781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).