N-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-N-phenylformamide

C23H30FNO4Si — CID 23817335

IUPACN-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-N-phenylformamide
SMILESCO[C@@H]1c2cc(N(C=O)c3ccccc3)ccc2O[C@H](C(CCO)[Si](C)(C)F)[C@H]1C
InChIInChI=1S/C23H30FNO4Si/c1-16-22(28-2)19-14-18(25(15-27)17-8-6-5-7-9-17)10-11-20(19)29-23(16)21(12-13-26)30(3,4)24/h5-11,14-16,21-23,26H,12-13H2,1-4H3/t16-,21?,22-,23-/m0/s1
InChIKeyRFPZNOYHYONONV-CJEYXRJBSA-N
MW431.58 g/mol
LogP4.99
Rot. Bonds8

About N-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-N-phenylformamide

N-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-N-phenylformamide (PubChem CID 23817335) has the molecular formula C23H30FNO4Si and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-N-phenylformamide.

Molecular Properties

Compound NameN-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-N-phenylformamide
PubChem CID23817335
Molecular FormulaC23H30FNO4Si
Molecular Weight431.58 g/mol
Exact Mass431.19
IUPAC NameN-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-N-phenylformamide
SMILESCO[C@@H]1c2cc(N(C=O)c3ccccc3)ccc2O[C@H](C(CCO)[Si](C)(C)F)[C@H]1C
InChIInChI=1S/C23H30FNO4Si/c1-16-22(28-2)19-14-18(25(15-27)17-8-6-5-7-9-17)10-11-20(19)29-23(16)21(12-13-26)30(3,4)24/h5-11,14-16,21-23,26H,12-13H2,1-4H3/t16-,21?,22-,23-/m0/s1
InChIKeyRFPZNOYHYONONV-CJEYXRJBSA-N
XLogP4.99
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-N-phenylformamide?
The IUPAC name of N-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-N-phenylformamide (CID 23817335) is N-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-N-phenylformamide.
What is the SMILES notation for N-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-N-phenylformamide?
The canonical SMILES for N-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-N-phenylformamide is CO[C@@H]1c2cc(N(C=O)c3ccccc3)ccc2O[C@H](C(CCO)[Si](C)(C)F)[C@H]1C.
What is the InChIKey of N-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-N-phenylformamide?
The InChIKey is RFPZNOYHYONONV-CJEYXRJBSA-N. The full InChI is InChI=1S/C23H30FNO4Si/c1-16-22(28-2)19-14-18(25(15-27)17-8-6-5-7-9-17)10-11-20(19)29-23(16)21(12-13-26)30(3,4)24/h5-11,14-16,21-23,26H,12-13H2,1-4H3/t16-,21?,22-,23-/m0/s1.
What are the key properties of N-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-N-phenylformamide?
N-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-N-phenylformamide has a molecular weight of 431.58 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4S)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-N-phenylformamide is sourced from PubChem (CID 23817335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).