trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide

C15H17F2NO — CID 97076598

IUPACtrans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1CCC1)[C@@H]1C[C@H]1c1cccc(F)c1F
InChIInChI=1S/C15H17F2NO/c16-13-6-2-5-10(14(13)17)11-7-12(11)15(19)18-8-9-3-1-4-9/h2,5-6,9,11-12H,1,3-4,7-8H2,(H,18,19)/t11-,12+/m0/s1
InChIKeyUWACOCMAQJMOOL-NWDGAFQWSA-N
MW265.30 g/mol
LogP2.98
Rot. Bonds4

About trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide (PubChem CID 97076598) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
PubChem CID97076598
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Nametrans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1CCC1)[C@@H]1C[C@H]1c1cccc(F)c1F
InChIInChI=1S/C15H17F2NO/c16-13-6-2-5-10(14(13)17)11-7-12(11)15(19)18-8-9-3-1-4-9/h2,5-6,9,11-12H,1,3-4,7-8H2,(H,18,19)/t11-,12+/m0/s1
InChIKeyUWACOCMAQJMOOL-NWDGAFQWSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide (CID 97076598) is trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide is O=C(NCC1CCC1)[C@@H]1C[C@H]1c1cccc(F)c1F.
What is the InChIKey of trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is UWACOCMAQJMOOL-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H17F2NO/c16-13-6-2-5-10(14(13)17)11-7-12(11)15(19)18-8-9-3-1-4-9/h2,5-6,9,11-12H,1,3-4,7-8H2,(H,18,19)/t11-,12+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 265.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97076598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).