9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate

C24H20Cl2N2O2 — CID 169469598

IUPAC9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate
SMILESNc1c(Cl)cc(Cl)cc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H20Cl2N2O2/c25-16-12-15(23(27)22(26)13-16)6-5-11-28-24(29)30-14-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-10,12-13,21H,11,14,27H2,(H,28,29)
InChIKeyARLFQTQARNBSGR-UHFFFAOYSA-N
MW439.34 g/mol
LogP6.13
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate (PubChem CID 169469598) has the molecular formula C24H20Cl2N2O2 and a molecular weight of 439.34 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate
PubChem CID169469598
Molecular FormulaC24H20Cl2N2O2
Molecular Weight439.34 g/mol
Exact Mass438.09
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate
SMILESNc1c(Cl)cc(Cl)cc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H20Cl2N2O2/c25-16-12-15(23(27)22(26)13-16)6-5-11-28-24(29)30-14-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-10,12-13,21H,11,14,27H2,(H,28,29)
InChIKeyARLFQTQARNBSGR-UHFFFAOYSA-N
XLogP6.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.34
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2,5-dichloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469280
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate
CID 169469496
9H-fluoren-9-ylmethyl N-[3-(3-amino-6-chloropyridazin-4-yl)prop-2-enyl]carbamate
CID 169469327
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
4-chloro-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169469792
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-formylphenyl)prop-2-enyl]carbamate
CID 169469433
9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate
CID 169469501
9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469609
9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)prop-2-enyl]carbamate
CID 169469103
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]carbamate
CID 169469374
9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169469405

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate (CID 169469598) is 9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate is Nc1c(Cl)cc(Cl)cc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate?
The InChIKey is ARLFQTQARNBSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O2/c25-16-12-15(23(27)22(26)13-16)6-5-11-28-24(29)30-14-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-10,12-13,21H,11,14,27H2,(H,28,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate has a molecular weight of 439.34 g/mol, XLogP of 6.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).