(2R)-2-benzyl-N-fluoro-5-tri(propan-2-yl)silylpent-4-ynamide

C21H32FNOSi — CID 153438478

IUPAC(2R)-2-benzyl-N-fluoro-5-tri(propan-2-yl)silylpent-4-ynamide
SMILESCC(C)[Si](C#CC[C@@H](Cc1ccccc1)C(=O)NF)(C(C)C)C(C)C
InChIInChI=1S/C21H32FNOSi/c1-16(2)25(17(3)4,18(5)6)14-10-13-20(21(24)23-22)15-19-11-8-7-9-12-19/h7-9,11-12,16-18,20H,13,15H2,1-6H3,(H,23,24)/t20-/m0/s1
InChIKeyDNTZLOJCKMLOSN-FQEVSTJZSA-N
MW361.58 g/mol
LogP5.46
Rot. Bonds7

About (2R)-2-benzyl-N-fluoro-5-tri(propan-2-yl)silylpent-4-ynamide

(2R)-2-benzyl-N-fluoro-5-tri(propan-2-yl)silylpent-4-ynamide (PubChem CID 153438478) has the molecular formula C21H32FNOSi and a molecular weight of 361.58 g/mol. Its IUPAC name is (2R)-2-benzyl-N-fluoro-5-tri(propan-2-yl)silylpent-4-ynamide.

Molecular Properties

Compound Name(2R)-2-benzyl-N-fluoro-5-tri(propan-2-yl)silylpent-4-ynamide
PubChem CID153438478
Molecular FormulaC21H32FNOSi
Molecular Weight361.58 g/mol
Exact Mass361.22
IUPAC Name(2R)-2-benzyl-N-fluoro-5-tri(propan-2-yl)silylpent-4-ynamide
SMILESCC(C)[Si](C#CC[C@@H](Cc1ccccc1)C(=O)NF)(C(C)C)C(C)C
InChIInChI=1S/C21H32FNOSi/c1-16(2)25(17(3)4,18(5)6)14-10-13-20(21(24)23-22)15-19-11-8-7-9-12-19/h7-9,11-12,16-18,20H,13,15H2,1-6H3,(H,23,24)/t20-/m0/s1
InChIKeyDNTZLOJCKMLOSN-FQEVSTJZSA-N
XLogP5.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.58
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-benzyl-N-fluoro-3-hydroxypropanamide
CID 153438488
2-benzyl-4-methylpentanoic acid
CID 15416243
3-benzylhexane-2,5-dione
CID 58379257
alumane;3-benzylpentan-2-one
CID 174773852
3-benzylhexan-2-one
CID 12816361
[(Z)-7-phenylhept-4-en-1-ynyl]-tri(propan-2-yl)silane
CID 135063552
methyl 2-benzyl-4-methyl-5-oxohexanoate
CID 163944835
2-benzyl-3-methyl-N-(3-methylbutan-2-yl)butanamide
CID 142050065
3-benzyl-7-methyloctane-2,5-dione
CID 102193743
N-cyano-2-methyl-3-phenylpropanamide
CID 14174699
N-[7-methyl-1-tri(propan-2-yl)silyloct-1-yn-4-yl]pyridine-2-carboxamide
CID 155618825
2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide
CID 123901383

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-N-fluoro-5-tri(propan-2-yl)silylpent-4-ynamide?
The IUPAC name of (2R)-2-benzyl-N-fluoro-5-tri(propan-2-yl)silylpent-4-ynamide (CID 153438478) is (2R)-2-benzyl-N-fluoro-5-tri(propan-2-yl)silylpent-4-ynamide.
What is the SMILES notation for (2R)-2-benzyl-N-fluoro-5-tri(propan-2-yl)silylpent-4-ynamide?
The canonical SMILES for (2R)-2-benzyl-N-fluoro-5-tri(propan-2-yl)silylpent-4-ynamide is CC(C)[Si](C#CC[C@@H](Cc1ccccc1)C(=O)NF)(C(C)C)C(C)C.
What is the InChIKey of (2R)-2-benzyl-N-fluoro-5-tri(propan-2-yl)silylpent-4-ynamide?
The InChIKey is DNTZLOJCKMLOSN-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H32FNOSi/c1-16(2)25(17(3)4,18(5)6)14-10-13-20(21(24)23-22)15-19-11-8-7-9-12-19/h7-9,11-12,16-18,20H,13,15H2,1-6H3,(H,23,24)/t20-/m0/s1.
What are the key properties of (2R)-2-benzyl-N-fluoro-5-tri(propan-2-yl)silylpent-4-ynamide?
(2R)-2-benzyl-N-fluoro-5-tri(propan-2-yl)silylpent-4-ynamide has a molecular weight of 361.58 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-N-fluoro-5-tri(propan-2-yl)silylpent-4-ynamide is sourced from PubChem (CID 153438478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).