N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide

C19H21FN2O2 — CID 112997286

IUPACN-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide
SMILESCCc1cccc(CC)c1NC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C19H21FN2O2/c1-3-13-7-5-8-14(4-2)18(13)22-17(23)12-21-19(24)15-9-6-10-16(20)11-15/h5-11H,3-4,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyORRPCKKGMMLNKU-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.32
Rot. Bonds6

About N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide

N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide (PubChem CID 112997286) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide
PubChem CID112997286
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide
SMILESCCc1cccc(CC)c1NC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C19H21FN2O2/c1-3-13-7-5-8-14(4-2)18(13)22-17(23)12-21-19(24)15-9-6-10-16(20)11-15/h5-11H,3-4,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyORRPCKKGMMLNKU-UHFFFAOYSA-N
XLogP3.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide
CID 112997289
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
3-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 34231408
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001652
3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712
N-[2-(2,6-diethylanilino)-2-oxoethyl]-2-ethylbutanamide
CID 112997279
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide
CID 113001247
N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
CID 64991573
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112996997
N-(2,6-diethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008077

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide (CID 112997286) is N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide is CCc1cccc(CC)c1NC(=O)CNC(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is ORRPCKKGMMLNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-3-13-7-5-8-14(4-2)18(13)22-17(23)12-21-19(24)15-9-6-10-16(20)11-15/h5-11H,3-4,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide?
N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 328.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-diethylanilino)-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 112997286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).