N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide

C18H20FN3O2 — CID 2658590

IUPACN-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C18H20FN3O2/c1-13-5-3-7-15(9-13)20-17(23)11-22(2)12-18(24)21-16-8-4-6-14(19)10-16/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyVRQMTKGTJKKYPJ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.64
Rot. Bonds6

About N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide

N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide (PubChem CID 2658590) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
PubChem CID2658590
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C18H20FN3O2/c1-13-5-3-7-15(9-13)20-17(23)11-22(2)12-18(24)21-16-8-4-6-14(19)10-16/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyVRQMTKGTJKKYPJ-UHFFFAOYSA-N
XLogP2.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide
CID 9262561
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 2658580
2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 9223796
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
CID 9252643
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide
CID 2465262
N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9041614

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide (CID 2658590) is N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide is Cc1cccc(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is VRQMTKGTJKKYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-13-5-3-7-15(9-13)20-17(23)11-22(2)12-18(24)21-16-8-4-6-14(19)10-16/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide?
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 329.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 2658590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).