N-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide

C19H22FN3O3 — CID 86988555

IUPACN-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide
SMILESCOc1cc(F)ccc1NC(=O)N(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C19H22FN3O3/c1-12-6-5-7-13(2)18(12)22-17(24)11-23(3)19(25)21-15-9-8-14(20)10-16(15)26-4/h5-10H,11H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyZNBPUYOPWJEDQH-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.55
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide

N-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide (PubChem CID 86988555) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide
PubChem CID86988555
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide
SMILESCOc1cc(F)ccc1NC(=O)N(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C19H22FN3O3/c1-12-6-5-7-13(2)18(12)22-17(24)11-23(3)19(25)21-15-9-8-14(20)10-16(15)26-4/h5-10H,11H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyZNBPUYOPWJEDQH-UHFFFAOYSA-N
XLogP3.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide
CID 55698968
N-(2,6-dimethylphenyl)-2-[2-(2-methoxyphenoxy)ethylcarbamoyl-methylamino]acetamide
CID 27535607
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 31931546
N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide
CID 55697019
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
CID 9437901
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 27869376
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
CID 9437503
N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107025881
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluorobenzoate
CID 9198407
N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 55628358
N-[2-(4-fluoro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
CID 86829133

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide (CID 86988555) is N-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide is COc1cc(F)ccc1NC(=O)N(C)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide?
The InChIKey is ZNBPUYOPWJEDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-12-6-5-7-13(2)18(12)22-17(24)11-23(3)19(25)21-15-9-8-14(20)10-16(15)26-4/h5-10H,11H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of N-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide has a molecular weight of 359.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide is sourced from PubChem (CID 86988555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).