9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate

C21H16ClNO2 — CID 12841540

IUPAC9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H16ClNO2/c22-14-9-11-15(12-10-14)23-21(24)25-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20H,13H2,(H,23,24)
InChIKeyZQDRLJHNKXQDLG-UHFFFAOYSA-N
MW349.82 g/mol
LogP5.70
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate

9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate (PubChem CID 12841540) has the molecular formula C21H16ClNO2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
PubChem CID12841540
Molecular FormulaC21H16ClNO2
Molecular Weight349.82 g/mol
Exact Mass349.09
IUPAC Name9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H16ClNO2/c22-14-9-11-15(12-10-14)23-21(24)25-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20H,13H2,(H,23,24)
InChIKeyZQDRLJHNKXQDLG-UHFFFAOYSA-N
XLogP5.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.82
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate
CID 14482307
9H-fluoren-9-ylmethyl N-[4-(1-aminocyclopropyl)phenyl]carbamate
CID 175653920
9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate
CID 45112398
9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate
CID 90337303
9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate
CID 148733041
9H-fluoren-9-ylmethyl N-[4-[(2-methylpropan-2-yl)oxycarbamoyl]phenyl]carbamate
CID 141231011
3,5-dichloro-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
CID 63404936
5-chloro-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzenesulfonic acid
CID 87330347
tert-butyl (4S)-5-(4-chloroanilino)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
CID 172686859
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate (CID 12841540) is 9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate?
The InChIKey is ZQDRLJHNKXQDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO2/c22-14-9-11-15(12-10-14)23-21(24)25-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20H,13H2,(H,23,24).
What are the key properties of 9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate?
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate has a molecular weight of 349.82 g/mol, XLogP of 5.70, 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-(4-chlorophenyl)carbamate is sourced from PubChem (CID 12841540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).