9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate

C24H20F2N2O2 — CID 169469609

IUPAC9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate
SMILESNc1cc(F)c(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1F
InChIInChI=1S/C24H20F2N2O2/c25-21-13-23(27)22(26)12-15(21)6-5-11-28-24(29)30-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-10,12-13,20H,11,14,27H2,(H,28,29)
InChIKeyRRJLSMDNOGLYKP-UHFFFAOYSA-N
MW406.43 g/mol
LogP5.10
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate (PubChem CID 169469609) has the molecular formula C24H20F2N2O2 and a molecular weight of 406.43 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate
PubChem CID169469609
Molecular FormulaC24H20F2N2O2
Molecular Weight406.43 g/mol
Exact Mass406.15
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate
SMILESNc1cc(F)c(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1F
InChIInChI=1S/C24H20F2N2O2/c25-21-13-23(27)22(26)12-15(21)6-5-11-28-24(29)30-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-10,12-13,20H,11,14,27H2,(H,28,29)
InChIKeyRRJLSMDNOGLYKP-UHFFFAOYSA-N
XLogP5.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.43
LogP ≤ 55.10
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-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-(4-amino-3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469613
9H-fluoren-9-ylmethyl N-[3-(3-amino-5-fluoro-2-methylphenyl)prop-2-enyl]carbamate
CID 169469567
9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469951
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-fluoro-4-pyridinyl)prop-2-enyl]carbamate
CID 169470633
9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate
CID 169469501
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-4-hydroxy-5-nitrophenyl)prop-2-enyl]carbamate
CID 169470233
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]carbamate
CID 169469374
2-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-enyl]-4-fluorobenzoic acid
CID 170492890
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-4-methyl-5-nitrophenyl)prop-2-enyl]carbamate
CID 169470197
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469141

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate (CID 169469609) is 9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate is Nc1cc(F)c(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1F.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate?
The InChIKey is RRJLSMDNOGLYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O2/c25-21-13-23(27)22(26)12-15(21)6-5-11-28-24(29)30-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-10,12-13,20H,11,14,27H2,(H,28,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate has a molecular weight of 406.43 g/mol, XLogP of 5.10, 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-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).