[9-[dimethyl(phenyl)silyl]fluoren-9-yl]methyl N-(4-chlorophenyl)carbamate

C29H26ClNO2Si — CID 19902692

IUPAC[9-[dimethyl(phenyl)silyl]fluoren-9-yl]methyl N-(4-chlorophenyl)carbamate
SMILESC[Si](C)(c1ccccc1)C1(COC(=O)Nc2ccc(Cl)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C29H26ClNO2Si/c1-34(2,23-10-4-3-5-11-23)29(20-33-28(32)31-22-18-16-21(30)17-19-22)26-14-8-6-12-24(26)25-13-7-9-15-27(25)29/h3-19H,20H2,1-2H3,(H,31,32)
InChIKeyFSBFPKUXQBDRCJ-UHFFFAOYSA-N
MW484.07 g/mol
LogP7.01
Rot. Bonds5

About [9-[dimethyl(phenyl)silyl]fluoren-9-yl]methyl N-(4-chlorophenyl)carbamate

[9-[dimethyl(phenyl)silyl]fluoren-9-yl]methyl N-(4-chlorophenyl)carbamate (PubChem CID 19902692) has the molecular formula C29H26ClNO2Si and a molecular weight of 484.07 g/mol. Its IUPAC name is [9-[dimethyl(phenyl)silyl]fluoren-9-yl]methyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[9-[dimethyl(phenyl)silyl]fluoren-9-yl]methyl N-(4-chlorophenyl)carbamate
PubChem CID19902692
Molecular FormulaC29H26ClNO2Si
Molecular Weight484.07 g/mol
Exact Mass483.14
IUPAC Name[9-[dimethyl(phenyl)silyl]fluoren-9-yl]methyl N-(4-chlorophenyl)carbamate
SMILESC[Si](C)(c1ccccc1)C1(COC(=O)Nc2ccc(Cl)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C29H26ClNO2Si/c1-34(2,23-10-4-3-5-11-23)29(20-33-28(32)31-22-18-16-21(30)17-19-22)26-14-8-6-12-24(26)25-13-7-9-15-27(25)29/h3-19H,20H2,1-2H3,(H,31,32)
InChIKeyFSBFPKUXQBDRCJ-UHFFFAOYSA-N
XLogP7.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.07
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
(1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate
CID 79337548
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-phenylacetamide
CID 35270563
benzamido N-(4-chlorophenyl)carbamate
CID 134110176
2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate
CID 24836409
ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate
CID 13021625
(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate
CID 1476568
1-amino-3-(4-chlorophenyl)-1-phenylurea
CID 174468778
2,2,2-trifluoroethyl N-(4-chlorophenyl)carbamate
CID 9106578
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
[2-(4-chloroanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588474
[5-(4-chlorophenyl)furan-2-yl]methyl N-phenylcarbamate
CID 900055

Frequently Asked Questions

What is the IUPAC name of [9-[dimethyl(phenyl)silyl]fluoren-9-yl]methyl N-(4-chlorophenyl)carbamate?
The IUPAC name of [9-[dimethyl(phenyl)silyl]fluoren-9-yl]methyl N-(4-chlorophenyl)carbamate (CID 19902692) is [9-[dimethyl(phenyl)silyl]fluoren-9-yl]methyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [9-[dimethyl(phenyl)silyl]fluoren-9-yl]methyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for [9-[dimethyl(phenyl)silyl]fluoren-9-yl]methyl N-(4-chlorophenyl)carbamate is C[Si](C)(c1ccccc1)C1(COC(=O)Nc2ccc(Cl)cc2)c2ccccc2-c2ccccc21.
What is the InChIKey of [9-[dimethyl(phenyl)silyl]fluoren-9-yl]methyl N-(4-chlorophenyl)carbamate?
The InChIKey is FSBFPKUXQBDRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClNO2Si/c1-34(2,23-10-4-3-5-11-23)29(20-33-28(32)31-22-18-16-21(30)17-19-22)26-14-8-6-12-24(26)25-13-7-9-15-27(25)29/h3-19H,20H2,1-2H3,(H,31,32).
What are the key properties of [9-[dimethyl(phenyl)silyl]fluoren-9-yl]methyl N-(4-chlorophenyl)carbamate?
[9-[dimethyl(phenyl)silyl]fluoren-9-yl]methyl N-(4-chlorophenyl)carbamate has a molecular weight of 484.07 g/mol, XLogP of 7.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[dimethyl(phenyl)silyl]fluoren-9-yl]methyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 19902692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).