9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate

C17H14ClNO3 — CID 11758879

IUPAC9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
SMILESO=C(Cl)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H14ClNO3/c18-16(20)9-19-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,19,21)
InChIKeyHFWFBOCOXPEKBV-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.29
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate

9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate (PubChem CID 11758879) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
PubChem CID11758879
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
SMILESO=C(Cl)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H14ClNO3/c18-16(20)9-19-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,19,21)
InChIKeyHFWFBOCOXPEKBV-UHFFFAOYSA-N
XLogP3.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-iminopropanoic acid
CID 163894219
9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate
CID 118380482
2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid
CID 102122046
2-methylbut-3-en-2-yl 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 91976784
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
CID 102476302
dimethyl 2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanedioate
CID 141226367
9H-fluoren-9-ylmethyl N-[2-(cycloheptylamino)-2-oxoethyl]carbamate
CID 170794400
3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid
CID 174634562

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate (CID 11758879) is 9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate is O=C(Cl)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate?
The InChIKey is HFWFBOCOXPEKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c18-16(20)9-19-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,19,21).
What are the key properties of 9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate?
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate has a molecular weight of 315.76 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate is sourced from PubChem (CID 11758879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).