1-fluoro-N-[2-[2-(propan-2-ylcarbamoyl)cyclopropyl]propan-2-yl]cyclopropane-1-carboxamide

C14H23FN2O2 — CID 163637340

IUPAC1-fluoro-N-[2-[2-(propan-2-ylcarbamoyl)cyclopropyl]propan-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)NC(=O)C1CC1C(C)(C)NC(=O)C1(F)CC1
InChIInChI=1S/C14H23FN2O2/c1-8(2)16-11(18)9-7-10(9)13(3,4)17-12(19)14(15)5-6-14/h8-10H,5-7H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyIBHWLEWKWFEMDI-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.54
Rot. Bonds5

About 1-fluoro-N-[2-[2-(propan-2-ylcarbamoyl)cyclopropyl]propan-2-yl]cyclopropane-1-carboxamide

1-fluoro-N-[2-[2-(propan-2-ylcarbamoyl)cyclopropyl]propan-2-yl]cyclopropane-1-carboxamide (PubChem CID 163637340) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-fluoro-N-[2-[2-(propan-2-ylcarbamoyl)cyclopropyl]propan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-[2-[2-(propan-2-ylcarbamoyl)cyclopropyl]propan-2-yl]cyclopropane-1-carboxamide
PubChem CID163637340
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name1-fluoro-N-[2-[2-(propan-2-ylcarbamoyl)cyclopropyl]propan-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)NC(=O)C1CC1C(C)(C)NC(=O)C1(F)CC1
InChIInChI=1S/C14H23FN2O2/c1-8(2)16-11(18)9-7-10(9)13(3,4)17-12(19)14(15)5-6-14/h8-10H,5-7H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyIBHWLEWKWFEMDI-UHFFFAOYSA-N
XLogP1.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-fluoro-N-[2-[2-(propan-2-ylcarbamoyl)cyclopropyl]propan-2-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide
CID 149339132
cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 171756340
N-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide
CID 162747705
(1S,2S,3S,4S)-2-N,3-N-di(propan-2-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 98532767
trans-(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311717
(1R)-2,2-difluoro-N-propan-2-ylcyclopropane-1-carboxamide
CID 167134960
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide
CID 171608649
1-fluoro-N-[(2S)-1-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]cyclopropane-1-carboxamide
CID 174285688
cis-(1S,2S)-2-(hydroxymethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 167023233
N-butan-2-yl-1-fluorocyclobutane-1-carboxamide
CID 130944336
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclobutane-1-carboxamide
CID 171608667
3-fluoro-N-propan-2-ylpiperidine-3-carboxamide
CID 84719189

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[2-[2-(propan-2-ylcarbamoyl)cyclopropyl]propan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-fluoro-N-[2-[2-(propan-2-ylcarbamoyl)cyclopropyl]propan-2-yl]cyclopropane-1-carboxamide (CID 163637340) is 1-fluoro-N-[2-[2-(propan-2-ylcarbamoyl)cyclopropyl]propan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N-[2-[2-(propan-2-ylcarbamoyl)cyclopropyl]propan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-fluoro-N-[2-[2-(propan-2-ylcarbamoyl)cyclopropyl]propan-2-yl]cyclopropane-1-carboxamide is CC(C)NC(=O)C1CC1C(C)(C)NC(=O)C1(F)CC1.
What is the InChIKey of 1-fluoro-N-[2-[2-(propan-2-ylcarbamoyl)cyclopropyl]propan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is IBHWLEWKWFEMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-8(2)16-11(18)9-7-10(9)13(3,4)17-12(19)14(15)5-6-14/h8-10H,5-7H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of 1-fluoro-N-[2-[2-(propan-2-ylcarbamoyl)cyclopropyl]propan-2-yl]cyclopropane-1-carboxamide?
1-fluoro-N-[2-[2-(propan-2-ylcarbamoyl)cyclopropyl]propan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[2-[2-(propan-2-ylcarbamoyl)cyclopropyl]propan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 163637340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).