(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carbonyl chloride

C24H28ClF2NO2Si — CID 59854968

IUPAC(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carbonyl chloride
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(c2ccccc2)C=C(c2cc(F)ccc2F)CN1C(=O)Cl
InChIInChI=1S/C24H28ClF2NO2Si/c1-23(2,3)31(4,5)30-16-24(18-9-7-6-8-10-18)14-17(15-28(24)22(25)29)20-13-19(26)11-12-21(20)27/h6-14H,15-16H2,1-5H3/t24-/m1/s1
InChIKeyHXWJUUHENZPNRB-XMMPIXPASA-N
MW464.03 g/mol
LogP6.94
Rot. Bonds5

About (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carbonyl chloride

(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carbonyl chloride (PubChem CID 59854968) has the molecular formula C24H28ClF2NO2Si and a molecular weight of 464.03 g/mol. Its IUPAC name is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carbonyl chloride.

Molecular Properties

Compound Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carbonyl chloride
PubChem CID59854968
Molecular FormulaC24H28ClF2NO2Si
Molecular Weight464.03 g/mol
Exact Mass463.15
IUPAC Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carbonyl chloride
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(c2ccccc2)C=C(c2cc(F)ccc2F)CN1C(=O)Cl
InChIInChI=1S/C24H28ClF2NO2Si/c1-23(2,3)31(4,5)30-16-24(18-9-7-6-8-10-18)14-17(15-28(24)22(25)29)20-13-19(26)11-12-21(20)27/h6-14H,15-16H2,1-5H3/t24-/m1/s1
InChIKeyHXWJUUHENZPNRB-XMMPIXPASA-N
XLogP6.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.03
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide
CID 44568311
(4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one
CID 134951393
2-({[tert-butyl(dimethyl)silyl]oxy}methyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-piperidin-4-yl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 10098834
4-(2,5-Difluorophenyl)-2-(hydroxymethyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 10247806
4-(2,5-Difluorophenyl)-2-(methoxymethyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 10384648
(2S)-4-(2,5-difluorophenyl)-N-{(3R,4S)-3-fluoro-1-[3-(trimethylsilyl)propyl]piperidin-4-yl}-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11497752
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[2-(fluoromethyl)-1-methylpyrrolidin-3-yl]-N-methyl-3,5-diphenyl-2H-pyrrole-1-carboxamide
CID 57987077
2-({[tert-butyl(dimethyl)silyl]oxy}methyl)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl chloride
CID 58638051
2-({[tert-Butyl(dimethyl)silyl]oxy}methyl)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrole
CID 58638077
tert-butyl-[[(5S)-3-(2,5-difluorophenyl)-5-phenyl-1,2-dihydropyrrol-5-yl]methoxy]-dimethylsilane
CID 58891728
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-fluoro-1-(3-trimethylsilylpropyl)piperidin-4-yl]-N-methyl-3,5-diphenyl-2H-pyrrole-1-carboxamide
CID 59786113
(5S)-3-(2,5-difluorophenyl)-N-[(3S,4S)-3-fluoro-1-(3-trimethylsilylpropyl)piperidin-4-yl]-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide
CID 69296181

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carbonyl chloride?
The IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carbonyl chloride (CID 59854968) is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carbonyl chloride.
What is the SMILES notation for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carbonyl chloride?
The canonical SMILES for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carbonyl chloride is CC(C)(C)[Si](C)(C)OC[C@@]1(c2ccccc2)C=C(c2cc(F)ccc2F)CN1C(=O)Cl.
What is the InChIKey of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carbonyl chloride?
The InChIKey is HXWJUUHENZPNRB-XMMPIXPASA-N. The full InChI is InChI=1S/C24H28ClF2NO2Si/c1-23(2,3)31(4,5)30-16-24(18-9-7-6-8-10-18)14-17(15-28(24)22(25)29)20-13-19(26)11-12-21(20)27/h6-14H,15-16H2,1-5H3/t24-/m1/s1.
What are the key properties of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carbonyl chloride?
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carbonyl chloride has a molecular weight of 464.03 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,5-difluorophenyl)-5-phenyl-2H-pyrrole-1-carbonyl chloride is sourced from PubChem (CID 59854968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).