N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide

C17H21F2NO2 — CID 97226436

IUPACN-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide
SMILESCOCCC1(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2F)CCC1
InChIInChI=1S/C17H21F2NO2/c1-22-9-8-17(6-3-7-17)16(21)20-14-10-12(14)11-4-2-5-13(18)15(11)19/h2,4-5,12,14H,3,6-10H2,1H3,(H,20,21)/t12-,14-/m0/s1
InChIKeyKIIXJJVHTTWXMC-JSGCOSHPSA-N
MW309.36 g/mol
LogP3.14
Rot. Bonds6

About N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide

N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide (PubChem CID 97226436) has the molecular formula C17H21F2NO2 and a molecular weight of 309.36 g/mol. Its IUPAC name is N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide
PubChem CID97226436
Molecular FormulaC17H21F2NO2
Molecular Weight309.36 g/mol
Exact Mass309.15
IUPAC NameN-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide
SMILESCOCCC1(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2F)CCC1
InChIInChI=1S/C17H21F2NO2/c1-22-9-8-17(6-3-7-17)16(21)20-14-10-12(14)11-4-2-5-13(18)15(11)19/h2,4-5,12,14H,3,6-10H2,1H3,(H,20,21)/t12-,14-/m0/s1
InChIKeyKIIXJJVHTTWXMC-JSGCOSHPSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide with MolForge

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Related Compounds

N-[(1R,2R)-2-(2,3-difluorophenyl)cyclopropyl]-2-(methylsulfamoyl)acetamide
CID 96958789
1-[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 96527477
1-[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 98848171
N-[(2R,4R,4aS,8aR)-2-(2,3-difluorophenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]-3-methoxypropanamide
CID 110133982
1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942222
1-(2-methoxyethyl)-N-piperidin-4-ylcyclobutane-1-carboxamide;hydrochloride
CID 119389324
4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride
CID 120933820
trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
CID 97076598
1-[2-(2-fluorophenyl)cyclopropyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405267
N-(2-aminoethyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119384705
ethyl 1-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
CID 45183792
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide (CID 97226436) is N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide is COCCC1(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2F)CCC1.
What is the InChIKey of N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
The InChIKey is KIIXJJVHTTWXMC-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H21F2NO2/c1-22-9-8-17(6-3-7-17)16(21)20-14-10-12(14)11-4-2-5-13(18)15(11)19/h2,4-5,12,14H,3,6-10H2,1H3,(H,20,21)/t12-,14-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide has a molecular weight of 309.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 97226436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).