9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate

C23H18Cl2N2O2 — CID 169469283

IUPAC9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1c(Cl)ccnc1Cl)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H18Cl2N2O2/c24-21-11-13-26-22(25)19(21)10-5-12-27-23(28)29-14-20-17-8-3-1-6-15(17)16-7-2-4-9-18(16)20/h1-11,13,20H,12,14H2,(H,27,28)
InChIKeyVSOYCDCKKSLAPS-UHFFFAOYSA-N
MW425.32 g/mol
LogP5.94
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate (PubChem CID 169469283) has the molecular formula C23H18Cl2N2O2 and a molecular weight of 425.32 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate
PubChem CID169469283
Molecular FormulaC23H18Cl2N2O2
Molecular Weight425.32 g/mol
Exact Mass424.07
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1c(Cl)ccnc1Cl)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H18Cl2N2O2/c24-21-11-13-26-22(25)19(21)10-5-12-27-23(28)29-14-20-17-8-3-1-6-15(17)16-7-2-4-9-18(16)20/h1-11,13,20H,12,14H2,(H,27,28)
InChIKeyVSOYCDCKKSLAPS-UHFFFAOYSA-N
XLogP5.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.32
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate
CID 169469095
9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169469119
9H-fluoren-9-ylmethyl N-[3-(2,5-dichloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469280
9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate
CID 169470944
9H-fluoren-9-ylmethyl N-[3-(2-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469022
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469006
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-chloro-5-fluoro-4-pyridinyl)prop-2-enyl]carbamate
CID 169470633
2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid
CID 169469960
9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate
CID 169470634
methyl 2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-3-carboxylate
CID 169470192
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate (CID 169469283) is 9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate is O=C(NCC=Cc1c(Cl)ccnc1Cl)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate?
The InChIKey is VSOYCDCKKSLAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O2/c24-21-11-13-26-22(25)19(21)10-5-12-27-23(28)29-14-20-17-8-3-1-6-15(17)16-7-2-4-9-18(16)20/h1-11,13,20H,12,14H2,(H,27,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate has a molecular weight of 425.32 g/mol, XLogP of 5.94, 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-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).