2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide

C16H23FN4O3 — CID 86988353

IUPAC2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)N(C)CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C16H23FN4O3/c1-10(22)18-11-6-7-12(17)13(8-11)19-15(24)21(5)9-14(23)20-16(2,3)4/h6-8H,9H2,1-5H3,(H,18,22)(H,19,24)(H,20,23)
InChIKeyJHZMBWGYOIBIMK-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.16
Rot. Bonds4

About 2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide

2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide (PubChem CID 86988353) has the molecular formula C16H23FN4O3 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide
PubChem CID86988353
Molecular FormulaC16H23FN4O3
Molecular Weight338.38 g/mol
Exact Mass338.18
IUPAC Name2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)N(C)CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C16H23FN4O3/c1-10(22)18-11-6-7-12(17)13(8-11)19-15(24)21(5)9-14(23)20-16(2,3)4/h6-8H,9H2,1-5H3,(H,18,22)(H,19,24)(H,20,23)
InChIKeyJHZMBWGYOIBIMK-UHFFFAOYSA-N
XLogP2.16
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide
CID 86994927
N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988362
N-tert-butyl-2-[(2,4-dimethylphenyl)carbamoyl-methylamino]acetamide
CID 86986380
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 8768024
N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988363
N-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86856078
4-fluoro-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]benzoic acid
CID 61198056
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
N-tert-butyl-2-[(3,5-dimethylphenyl)carbamoyl-methylamino]acetamide
CID 86986936
N-(5-acetamido-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949796
N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide
CID 86987567
N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide
CID 62966369

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide (CID 86988353) is 2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide is CC(=O)Nc1ccc(F)c(NC(=O)N(C)CC(=O)NC(C)(C)C)c1.
What is the InChIKey of 2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide?
The InChIKey is JHZMBWGYOIBIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O3/c1-10(22)18-11-6-7-12(17)13(8-11)19-15(24)21(5)9-14(23)20-16(2,3)4/h6-8H,9H2,1-5H3,(H,18,22)(H,19,24)(H,20,23).
What are the key properties of 2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide?
2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide has a molecular weight of 338.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide is sourced from PubChem (CID 86988353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).