N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide

C18H19BrFN3O2 — CID 9303478

IUPACN-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)CC(=O)Nc1ccccc1F
InChIInChI=1S/C18H19BrFN3O2/c1-12-9-13(19)7-8-15(12)21-17(24)10-23(2)11-18(25)22-16-6-4-3-5-14(16)20/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyHEVRPUOQKRQQFR-UHFFFAOYSA-N
MW408.27 g/mol
LogP3.41
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide

N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 9303478) has the molecular formula C18H19BrFN3O2 and a molecular weight of 408.27 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID9303478
Molecular FormulaC18H19BrFN3O2
Molecular Weight408.27 g/mol
Exact Mass407.06
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)CC(=O)Nc1ccccc1F
InChIInChI=1S/C18H19BrFN3O2/c1-12-9-13(19)7-8-15(12)21-17(24)10-23(2)11-18(25)22-16-6-4-3-5-14(16)20/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyHEVRPUOQKRQQFR-UHFFFAOYSA-N
XLogP3.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.27
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 8698305
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide
CID 46802089
4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 31378107
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 31378015
N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
CID 108956659
methyl 3-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-4-methylbenzoate
CID 32701380
N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
CID 16609224
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide
CID 24543825
3-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987825
3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660
N-(2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide;oxalic acid
CID 15945240

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide (CID 9303478) is N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide is Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)Nc1ccccc1F.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is HEVRPUOQKRQQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN3O2/c1-12-9-13(19)7-8-15(12)21-17(24)10-23(2)11-18(25)22-16-6-4-3-5-14(16)20/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 408.27 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 9303478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).