N-[1-fluoropropan-2-yl(methyl)carbamoyl]acetamide

C7H13FN2O2 — CID 123397218

IUPACN-[1-fluoropropan-2-yl(methyl)carbamoyl]acetamide
SMILESCC(=O)NC(=O)N(C)C(C)CF
InChIInChI=1S/C7H13FN2O2/c1-5(4-8)10(3)7(12)9-6(2)11/h5H,4H2,1-3H3,(H,9,11,12)
InChIKeyIITYNZNQGUYDDV-UHFFFAOYSA-N
MW176.19 g/mol
LogP0.53
Rot. Bonds2

About N-[1-fluoropropan-2-yl(methyl)carbamoyl]acetamide

N-[1-fluoropropan-2-yl(methyl)carbamoyl]acetamide (PubChem CID 123397218) has the molecular formula C7H13FN2O2 and a molecular weight of 176.19 g/mol. Its IUPAC name is N-[1-fluoropropan-2-yl(methyl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-[1-fluoropropan-2-yl(methyl)carbamoyl]acetamide
PubChem CID123397218
Molecular FormulaC7H13FN2O2
Molecular Weight176.19 g/mol
Exact Mass176.10
IUPAC NameN-[1-fluoropropan-2-yl(methyl)carbamoyl]acetamide
SMILESCC(=O)NC(=O)N(C)C(C)CF
InChIInChI=1S/C7H13FN2O2/c1-5(4-8)10(3)7(12)9-6(2)11/h5H,4H2,1-3H3,(H,9,11,12)
InChIKeyIITYNZNQGUYDDV-UHFFFAOYSA-N
XLogP0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-fluoropropan-2-yl(methyl)carbamoyl]acetamide?
The IUPAC name of N-[1-fluoropropan-2-yl(methyl)carbamoyl]acetamide (CID 123397218) is N-[1-fluoropropan-2-yl(methyl)carbamoyl]acetamide.
What is the SMILES notation for N-[1-fluoropropan-2-yl(methyl)carbamoyl]acetamide?
The canonical SMILES for N-[1-fluoropropan-2-yl(methyl)carbamoyl]acetamide is CC(=O)NC(=O)N(C)C(C)CF.
What is the InChIKey of N-[1-fluoropropan-2-yl(methyl)carbamoyl]acetamide?
The InChIKey is IITYNZNQGUYDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O2/c1-5(4-8)10(3)7(12)9-6(2)11/h5H,4H2,1-3H3,(H,9,11,12).
What are the key properties of N-[1-fluoropropan-2-yl(methyl)carbamoyl]acetamide?
N-[1-fluoropropan-2-yl(methyl)carbamoyl]acetamide has a molecular weight of 176.19 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-fluoropropan-2-yl(methyl)carbamoyl]acetamide is sourced from PubChem (CID 123397218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).