9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate

C23H24BrNO3 — CID 86643648

IUPAC9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate
SMILESO=C(NC1CCC(C(=O)CBr)CC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H24BrNO3/c24-13-22(26)15-9-11-16(12-10-15)25-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21H,9-14H2,(H,25,27)
InChIKeyRTIANWOPRVTYIE-UHFFFAOYSA-N
MW442.35 g/mol
LogP5.05
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate (PubChem CID 86643648) has the molecular formula C23H24BrNO3 and a molecular weight of 442.35 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate
PubChem CID86643648
Molecular FormulaC23H24BrNO3
Molecular Weight442.35 g/mol
Exact Mass441.09
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate
SMILESO=C(NC1CCC(C(=O)CBr)CC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H24BrNO3/c24-13-22(26)15-9-11-16(12-10-15)25-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21H,9-14H2,(H,25,27)
InChIKeyRTIANWOPRVTYIE-UHFFFAOYSA-N
XLogP5.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.35
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[(1S,3R)-3-(bromomethyl)cyclopentyl]carbamate
CID 167727172
9H-fluoren-9-ylmethyl N-piperidin-4-ylcarbamate
CID 2756219
9H-fluoren-9-ylmethyl N-(oxolan-3-yl)carbamate
CID 166803824
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
tert-butyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)azetidine-1-carboxylate
CID 163288237
(3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid
CID 178192127
cis-(1S,3R)-3-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 178193480
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178199251
9H-fluoren-9-ylmethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130689635
9H-fluoren-9-ylmethyl N-[2-(cycloheptylamino)-2-oxoethyl]carbamate
CID 170794400
6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid
CID 165466142
9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate
CID 11130659

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate (CID 86643648) is 9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate is O=C(NC1CCC(C(=O)CBr)CC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate?
The InChIKey is RTIANWOPRVTYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrNO3/c24-13-22(26)15-9-11-16(12-10-15)25-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21H,9-14H2,(H,25,27).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate has a molecular weight of 442.35 g/mol, XLogP of 5.05, 5 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-[4-(2-bromoacetyl)cyclohexyl]carbamate is sourced from PubChem (CID 86643648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).