9H-fluoren-9-ylmethyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate

C29H22ClNO3 — CID 139466247

IUPAC9H-fluoren-9-ylmethyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate
SMILESO=Cc1ccc(N(Cc2ccc(Cl)cc2)C(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H22ClNO3/c30-22-13-9-20(10-14-22)17-31(23-15-11-21(18-32)12-16-23)29(33)34-19-28-26-7-3-1-5-24(26)25-6-2-4-8-27(25)28/h1-16,18,28H,17,19H2
InChIKeyMRSVODWJJPXUDV-UHFFFAOYSA-N
MW467.95 g/mol
LogP7.11
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate

9H-fluoren-9-ylmethyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate (PubChem CID 139466247) has the molecular formula C29H22ClNO3 and a molecular weight of 467.95 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate
PubChem CID139466247
Molecular FormulaC29H22ClNO3
Molecular Weight467.95 g/mol
Exact Mass467.13
IUPAC Name9H-fluoren-9-ylmethyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate
SMILESO=Cc1ccc(N(Cc2ccc(Cl)cc2)C(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H22ClNO3/c30-22-13-9-20(10-14-22)17-31(23-15-11-21(18-32)12-16-23)29(33)34-19-28-26-7-3-1-5-24(26)25-6-2-4-8-27(25)28/h1-16,18,28H,17,19H2
InChIKeyMRSVODWJJPXUDV-UHFFFAOYSA-N
XLogP7.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.95
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(4-chlorophenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 165470059
9H-fluoren-9-ylmethyl N-[(4-chlorophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 68883306
2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103664385
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
9H-fluoren-9-ylmethyl N-[[4-(dimethylamino)phenyl]methyl]-N-piperidin-4-ylcarbamate
CID 166019980
4-(4-chlorophenyl)-3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]butanoic acid
CID 146596692
[2-[[acetyl(methyl)amino]methyl]-9H-fluoren-9-yl]methyl N-(chloromethyl)-N-phenylcarbamate
CID 90221745
9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate
CID 131964913
9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
CID 155637511
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
(2R,3R)-2-[2-(4-chlorophenyl)ethyl]-4-(9H-fluoren-9-ylmethoxy)-3-methyl-4-oxobutanoic acid
CID 146517437
[2-[[acetyl(methyl)amino]methyl]-9H-fluoren-9-yl]methyl N-(iodomethyl)-N-phenylcarbamate
CID 90221747

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate (CID 139466247) is 9H-fluoren-9-ylmethyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate is O=Cc1ccc(N(Cc2ccc(Cl)cc2)C(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate?
The InChIKey is MRSVODWJJPXUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClNO3/c30-22-13-9-20(10-14-22)17-31(23-15-11-21(18-32)12-16-23)29(33)34-19-28-26-7-3-1-5-24(26)25-6-2-4-8-27(25)28/h1-16,18,28H,17,19H2.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate?
9H-fluoren-9-ylmethyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate has a molecular weight of 467.95 g/mol, XLogP of 7.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate is sourced from PubChem (CID 139466247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).