N-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide

C21H19FN2O3 — CID 3308582

IUPACN-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide
SMILESCc1cccc(C)c1NC(=O)C(NC(=O)c1ccccc1F)c1ccco1
InChIInChI=1S/C21H19FN2O3/c1-13-7-5-8-14(2)18(13)23-21(26)19(17-11-6-12-27-17)24-20(25)15-9-3-4-10-16(15)22/h3-12,19H,1-2H3,(H,23,26)(H,24,25)
InChIKeyNPZHOZCSYRGTCP-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.15
Rot. Bonds5

About N-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide

N-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide (PubChem CID 3308582) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide
PubChem CID3308582
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC NameN-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide
SMILESCc1cccc(C)c1NC(=O)C(NC(=O)c1ccccc1F)c1ccco1
InChIInChI=1S/C21H19FN2O3/c1-13-7-5-8-14(2)18(13)23-21(26)19(17-11-6-12-27-17)24-20(25)15-9-3-4-10-16(15)22/h3-12,19H,1-2H3,(H,23,26)(H,24,25)
InChIKeyNPZHOZCSYRGTCP-UHFFFAOYSA-N
XLogP4.15
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(1S)-2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]benzamide
CID 1078848
N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51606045
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
N-[4-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide
CID 22777805
2-anilino-N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 71729422
3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide
CID 55687173
N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide
CID 1494005
N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide
CID 3415360
N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-2-(4-nitrophenyl)acetamide
CID 57348887
N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119617713
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 71938716

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide (CID 3308582) is N-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide is Cc1cccc(C)c1NC(=O)C(NC(=O)c1ccccc1F)c1ccco1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is NPZHOZCSYRGTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-13-7-5-8-14(2)18(13)23-21(26)19(17-11-6-12-27-17)24-20(25)15-9-3-4-10-16(15)22/h3-12,19H,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide?
N-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 366.39 g/mol, XLogP of 4.15, 5 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)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 3308582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).