cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide

C15H17F2NO — CID 97076783

IUPACcis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1CCC1)[C@H]1C[C@H]1c1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO/c16-10-4-5-14(17)12(6-10)11-7-13(11)15(19)18-8-9-2-1-3-9/h4-6,9,11,13H,1-3,7-8H2,(H,18,19)/t11-,13-/m0/s1
InChIKeyFKAFDAYCCFSJLN-AAEUAGOBSA-N
MW265.30 g/mol
LogP2.98
Rot. Bonds4

About cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide (PubChem CID 97076783) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
PubChem CID97076783
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Namecis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1CCC1)[C@H]1C[C@H]1c1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO/c16-10-4-5-14(17)12(6-10)11-7-13(11)15(19)18-8-9-2-1-3-9/h4-6,9,11,13H,1-3,7-8H2,(H,18,19)/t11-,13-/m0/s1
InChIKeyFKAFDAYCCFSJLN-AAEUAGOBSA-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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Related Compounds

cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97076812
2-(2,5-difluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclopropane-1-carboxamide
CID 111539652
trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
CID 97076598
2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 120947077
3-[[(1S,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704684
3-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119177424
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 119462854
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119462853
trans-(1R,2R)-2-(2,5-difluorophenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 95782949
2-(2,5-difluorophenyl)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 75494414
2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 86945405
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide (CID 97076783) is cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide is O=C(NCC1CCC1)[C@H]1C[C@H]1c1cc(F)ccc1F.
What is the InChIKey of cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is FKAFDAYCCFSJLN-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H17F2NO/c16-10-4-5-14(17)12(6-10)11-7-13(11)15(19)18-8-9-2-1-3-9/h4-6,9,11,13H,1-3,7-8H2,(H,18,19)/t11-,13-/m0/s1.
What are the key properties of cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-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 cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97076783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).