9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate

C18H16ClNO3 — CID 131964913

IUPAC9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate
SMILESCC(C=O)N(Cl)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H16ClNO3/c1-12(10-21)20(19)18(22)23-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-10,12,17H,11H2,1H3
InChIKeyIVSIEVMFDDCWRI-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.98
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate

9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate (PubChem CID 131964913) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate
PubChem CID131964913
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate
SMILESCC(C=O)N(Cl)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H16ClNO3/c1-12(10-21)20(19)18(22)23-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-10,12,17H,11H2,1H3
InChIKeyIVSIEVMFDDCWRI-UHFFFAOYSA-N
XLogP3.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate 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

9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
2-[9H-fluoren-9-ylmethoxycarbonyl(1-hydroxyethyl)amino]acetic acid
CID 22364292
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495
(2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 18650330
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454
(2S)-2-[cyclobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 69233050
2-[9H-fluoren-9-ylmethoxycarbonyl(methoxycarbonyl)amino]propanoic acid
CID 174989747
9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate
CID 172641441
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(prop-2-enyl)amino]propanoic acid
CID 57345952
9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
CID 4038449
2-[benzyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 78063599
2-[dicyclopropylmethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 102482416

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate (CID 131964913) is 9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate is CC(C=O)N(Cl)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate?
The InChIKey is IVSIEVMFDDCWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-12(10-21)20(19)18(22)23-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-10,12,17H,11H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate?
9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate has a molecular weight of 329.78 g/mol, XLogP of 3.98, 4 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-chloro-N-(1-oxopropan-2-yl)carbamate is sourced from PubChem (CID 131964913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).