N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide

C24H20N2O3 — CID 42060741

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C24H20N2O3/c1-14-6-5-7-15(2)22(14)26-21(27)13-25-24(29)16-10-11-18-17-8-3-4-9-19(17)23(28)20(18)12-16/h3-12H,13H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyOREVKSLLQWADMK-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.88
Rot. Bonds4

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide (PubChem CID 42060741) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide
PubChem CID42060741
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C24H20N2O3/c1-14-6-5-7-15(2)22(14)26-21(27)13-25-24(29)16-10-11-18-17-8-3-4-9-19(17)23(28)20(18)12-16/h3-12H,13H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyOREVKSLLQWADMK-UHFFFAOYSA-N
XLogP3.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid
CID 10380616
N-ethyl-9,10-dioxoanthracene-2-carboxamide
CID 102014872
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2H-benzotriazole-5-carboxamide
CID 24682012
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide
CID 55757965
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 27760143
N-(3-methylphenyl)-9-oxofluorene-2-carboxamide
CID 42064187
3,4-dichloro-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]benzamide
CID 112997392
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
3-[(9,10-dioxoanthracene-2-carbonyl)amino]propanoic acid
CID 72725647
N-(2,6-dimethylphenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetamide
CID 7535563
4-[4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenoxy]benzamide
CID 56545372

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide (CID 42060741) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide is Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide?
The InChIKey is OREVKSLLQWADMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-14-6-5-7-15(2)22(14)26-21(27)13-25-24(29)16-10-11-18-17-8-3-4-9-19(17)23(28)20(18)12-16/h3-12H,13H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide is sourced from PubChem (CID 42060741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).