9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate

C25H22BrNO2 — CID 169470820

IUPAC9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate
SMILESCc1cc(Br)cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C25H22BrNO2/c1-17-13-18(15-19(26)14-17)7-6-12-27-25(28)29-16-24-22-10-4-2-8-20(22)21-9-3-5-11-23(21)24/h2-11,13-15,24H,12,16H2,1H3,(H,27,28)
InChIKeyLATCSYVUHZCRCX-UHFFFAOYSA-N
MW448.36 g/mol
LogP6.31
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate (PubChem CID 169470820) has the molecular formula C25H22BrNO2 and a molecular weight of 448.36 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate
PubChem CID169470820
Molecular FormulaC25H22BrNO2
Molecular Weight448.36 g/mol
Exact Mass447.08
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate
SMILESCc1cc(Br)cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C25H22BrNO2/c1-17-13-18(15-19(26)14-17)7-6-12-27-25(28)29-16-24-22-10-4-2-8-20(22)21-9-3-5-11-23(21)24/h2-11,13-15,24H,12,16H2,1H3,(H,27,28)
InChIKeyLATCSYVUHZCRCX-UHFFFAOYSA-N
XLogP6.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.36
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate
CID 169469467
9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469871
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
CID 169469269
9H-fluoren-9-ylmethyl N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469613
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)prop-2-enyl]carbamate
CID 169469851
9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169470711
9H-fluoren-9-ylmethyl N-[3-(2-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469022
9H-fluoren-9-ylmethyl N-[3-(4-acetyl-3-chlorophenyl)prop-2-enyl]carbamate
CID 169469856
9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169470620
9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169470525
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469085
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2-methylbenzoic acid
CID 169469831

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate (CID 169470820) is 9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate is Cc1cc(Br)cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate?
The InChIKey is LATCSYVUHZCRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrNO2/c1-17-13-18(15-19(26)14-17)7-6-12-27-25(28)29-16-24-22-10-4-2-8-20(22)21-9-3-5-11-23(21)24/h2-11,13-15,24H,12,16H2,1H3,(H,27,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate has a molecular weight of 448.36 g/mol, XLogP of 6.31, 5 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-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).