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

C24H22FN3O2 — CID 169469496

IUPAC9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate
SMILESNc1cc(F)cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1N
InChIInChI=1S/C24H22FN3O2/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,11,14,26-27H2,(H,28,29)
InChIKeyOKVXNQOSULLGDS-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.54
Rot. Bonds5

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

9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate (PubChem CID 169469496) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate
PubChem CID169469496
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate
SMILESNc1cc(F)cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1N
InChIInChI=1S/C24H22FN3O2/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,11,14,26-27H2,(H,28,29)
InChIKeyOKVXNQOSULLGDS-UHFFFAOYSA-N
XLogP4.54
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(3-amino-5-fluoro-2-methylphenyl)prop-2-enyl]carbamate
CID 169469567
9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469609
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469613
9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate
CID 169469598
9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate
CID 169469501
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-5-fluorobenzoic acid
CID 169469811
9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469951
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469141
9H-fluoren-9-ylmethyl N-[3-(2-cyano-4-fluorophenyl)prop-2-enyl]carbamate
CID 169469568
9H-fluoren-9-ylmethyl N-[3-(4-amino-3-pyridinyl)prop-2-enyl]carbamate
CID 169468973

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate (CID 169469496) is 9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate is Nc1cc(F)cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1N.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate?
The InChIKey is OKVXNQOSULLGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/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,11,14,26-27H2,(H,28,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate has a molecular weight of 403.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).