ethyl N-[2-methyl-3-[(9-oxofluorene-2-carbonyl)amino]phenyl]carbamate

C24H20N2O4 — CID 87043179

IUPACethyl N-[2-methyl-3-[(9-oxofluorene-2-carbonyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c1C
InChIInChI=1S/C24H20N2O4/c1-3-30-24(29)26-21-10-6-9-20(14(21)2)25-23(28)15-11-12-17-16-7-4-5-8-18(16)22(27)19(17)13-15/h4-13H,3H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyQGIFICNNBSKBTE-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.03
Rot. Bonds4

About ethyl N-[2-methyl-3-[(9-oxofluorene-2-carbonyl)amino]phenyl]carbamate

ethyl N-[2-methyl-3-[(9-oxofluorene-2-carbonyl)amino]phenyl]carbamate (PubChem CID 87043179) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is ethyl N-[2-methyl-3-[(9-oxofluorene-2-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-methyl-3-[(9-oxofluorene-2-carbonyl)amino]phenyl]carbamate
PubChem CID87043179
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Nameethyl N-[2-methyl-3-[(9-oxofluorene-2-carbonyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c1C
InChIInChI=1S/C24H20N2O4/c1-3-30-24(29)26-21-10-6-9-20(14(21)2)25-23(28)15-11-12-17-16-7-4-5-8-18(16)22(27)19(17)13-15/h4-13H,3H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyQGIFICNNBSKBTE-UHFFFAOYSA-N
XLogP5.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide
CID 102214638
N-(3-methylphenyl)-9-oxofluorene-2-carboxamide
CID 42064187
N-(2-fluorophenyl)-9-oxofluorene-2-carboxamide
CID 42064694
methyl 2-[3-methyl-4-[(9-oxofluorene-2-carbonyl)amino]phenoxy]acetate
CID 55916624
N-ethyl-9,10-dioxoanthracene-2-carboxamide
CID 102014872
ethyl 7-[(9-oxofluorene-2-carbonyl)amino]heptanoate
CID 60521776
ethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate
CID 87043158
N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide
CID 55785407
N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
CID 122363971
diethyl 9,10-dioxoanthracene-2,6-dicarboxylate
CID 102008401
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide
CID 42060741
ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate
CID 17415342

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-methyl-3-[(9-oxofluorene-2-carbonyl)amino]phenyl]carbamate?
The IUPAC name of ethyl N-[2-methyl-3-[(9-oxofluorene-2-carbonyl)amino]phenyl]carbamate (CID 87043179) is ethyl N-[2-methyl-3-[(9-oxofluorene-2-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-methyl-3-[(9-oxofluorene-2-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-methyl-3-[(9-oxofluorene-2-carbonyl)amino]phenyl]carbamate is CCOC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c1C.
What is the InChIKey of ethyl N-[2-methyl-3-[(9-oxofluorene-2-carbonyl)amino]phenyl]carbamate?
The InChIKey is QGIFICNNBSKBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-3-30-24(29)26-21-10-6-9-20(14(21)2)25-23(28)15-11-12-17-16-7-4-5-8-18(16)22(27)19(17)13-15/h4-13H,3H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of ethyl N-[2-methyl-3-[(9-oxofluorene-2-carbonyl)amino]phenyl]carbamate?
ethyl N-[2-methyl-3-[(9-oxofluorene-2-carbonyl)amino]phenyl]carbamate has a molecular weight of 400.43 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-methyl-3-[(9-oxofluorene-2-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 87043179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).