9H-fluoren-9-ylmethyl N-(3-chloro-2,3,7,7a-tetrahydro-1H-inden-5-yl)carbamate

C24H22ClNO2 — CID 141380691

IUPAC9H-fluoren-9-ylmethyl N-(3-chloro-2,3,7,7a-tetrahydro-1H-inden-5-yl)carbamate
SMILESO=C(NC1=CCC2CCC(Cl)C2=C1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H22ClNO2/c25-23-12-10-15-9-11-16(13-21(15)23)26-24(27)28-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-8,11,13,15,22-23H,9-10,12,14H2,(H,26,27)
InChIKeyCGRCILLIAHCYND-UHFFFAOYSA-N
MW391.90 g/mol
LogP5.76
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-(3-chloro-2,3,7,7a-tetrahydro-1H-inden-5-yl)carbamate

9H-fluoren-9-ylmethyl N-(3-chloro-2,3,7,7a-tetrahydro-1H-inden-5-yl)carbamate (PubChem CID 141380691) has the molecular formula C24H22ClNO2 and a molecular weight of 391.90 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(3-chloro-2,3,7,7a-tetrahydro-1H-inden-5-yl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(3-chloro-2,3,7,7a-tetrahydro-1H-inden-5-yl)carbamate
PubChem CID141380691
Molecular FormulaC24H22ClNO2
Molecular Weight391.90 g/mol
Exact Mass391.13
IUPAC Name9H-fluoren-9-ylmethyl N-(3-chloro-2,3,7,7a-tetrahydro-1H-inden-5-yl)carbamate
SMILESO=C(NC1=CCC2CCC(Cl)C2=C1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H22ClNO2/c25-23-12-10-15-9-11-16(13-21(15)23)26-24(27)28-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-8,11,13,15,22-23H,9-10,12,14H2,(H,26,27)
InChIKeyCGRCILLIAHCYND-UHFFFAOYSA-N
XLogP5.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl N-(3-chloro-2,3,7,7a-tetrahydro-1H-inden-5-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-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate
CID 146022304
9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate
CID 131725247
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate
CID 6958000
9H-fluoren-9-ylmethyl N-[4-(1-aminocyclopropyl)phenyl]carbamate
CID 175653920
acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate
CID 66925363
9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate
CID 11130659
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,1-dioxothiane-4-carboxylic acid
CID 1268237
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(3-chloro-2,3,7,7a-tetrahydro-1H-inden-5-yl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(3-chloro-2,3,7,7a-tetrahydro-1H-inden-5-yl)carbamate (CID 141380691) is 9H-fluoren-9-ylmethyl N-(3-chloro-2,3,7,7a-tetrahydro-1H-inden-5-yl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(3-chloro-2,3,7,7a-tetrahydro-1H-inden-5-yl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(3-chloro-2,3,7,7a-tetrahydro-1H-inden-5-yl)carbamate is O=C(NC1=CCC2CCC(Cl)C2=C1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(3-chloro-2,3,7,7a-tetrahydro-1H-inden-5-yl)carbamate?
The InChIKey is CGRCILLIAHCYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO2/c25-23-12-10-15-9-11-16(13-21(15)23)26-24(27)28-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-8,11,13,15,22-23H,9-10,12,14H2,(H,26,27).
What are the key properties of 9H-fluoren-9-ylmethyl N-(3-chloro-2,3,7,7a-tetrahydro-1H-inden-5-yl)carbamate?
9H-fluoren-9-ylmethyl N-(3-chloro-2,3,7,7a-tetrahydro-1H-inden-5-yl)carbamate has a molecular weight of 391.90 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(3-chloro-2,3,7,7a-tetrahydro-1H-inden-5-yl)carbamate is sourced from PubChem (CID 141380691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).