cis-(1R,2R)-N-[2,5-dimethyl-3-(methylamino)phenyl]-2-fluorocyclopropane-1-carboxamide

C13H17FN2O — CID 135293118

IUPACcis-(1R,2R)-N-[2,5-dimethyl-3-(methylamino)phenyl]-2-fluorocyclopropane-1-carboxamide
SMILESCNc1cc(C)cc(NC(=O)[C@H]2C[C@H]2F)c1C
InChIInChI=1S/C13H17FN2O/c1-7-4-11(15-3)8(2)12(5-7)16-13(17)9-6-10(9)14/h4-5,9-10,15H,6H2,1-3H3,(H,16,17)/t9-,10+/m0/s1
InChIKeyWTNHUHXCXBMJPT-VHSXEESVSA-N
MW236.29 g/mol
LogP2.64
Rot. Bonds3

About cis-(1R,2R)-N-[2,5-dimethyl-3-(methylamino)phenyl]-2-fluorocyclopropane-1-carboxamide

cis-(1R,2R)-N-[2,5-dimethyl-3-(methylamino)phenyl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 135293118) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is cis-(1R,2R)-N-[2,5-dimethyl-3-(methylamino)phenyl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N-[2,5-dimethyl-3-(methylamino)phenyl]-2-fluorocyclopropane-1-carboxamide
PubChem CID135293118
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Namecis-(1R,2R)-N-[2,5-dimethyl-3-(methylamino)phenyl]-2-fluorocyclopropane-1-carboxamide
SMILESCNc1cc(C)cc(NC(=O)[C@H]2C[C@H]2F)c1C
InChIInChI=1S/C13H17FN2O/c1-7-4-11(15-3)8(2)12(5-7)16-13(17)9-6-10(9)14/h4-5,9-10,15H,6H2,1-3H3,(H,16,17)/t9-,10+/m0/s1
InChIKeyWTNHUHXCXBMJPT-VHSXEESVSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2R)-2-fluoro-N-methylcyclopropane-1-carboxamide
CID 118178176
N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42905929
1-N-(2,5-dimethylphenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109141591
N-(2-fluoro-5-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013794
2-N-(3-chloro-2-methylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141595
cis-(1S,2R)-2-[(2,4-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344028
cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 7777713
N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 43259106
1-N-(2,5-dimethylphenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141010
methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142444
2-N-(4-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141603
2-N-(2-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141632

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[2,5-dimethyl-3-(methylamino)phenyl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-N-[2,5-dimethyl-3-(methylamino)phenyl]-2-fluorocyclopropane-1-carboxamide (CID 135293118) is cis-(1R,2R)-N-[2,5-dimethyl-3-(methylamino)phenyl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-N-[2,5-dimethyl-3-(methylamino)phenyl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-N-[2,5-dimethyl-3-(methylamino)phenyl]-2-fluorocyclopropane-1-carboxamide is CNc1cc(C)cc(NC(=O)[C@H]2C[C@H]2F)c1C.
What is the InChIKey of cis-(1R,2R)-N-[2,5-dimethyl-3-(methylamino)phenyl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is WTNHUHXCXBMJPT-VHSXEESVSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-7-4-11(15-3)8(2)12(5-7)16-13(17)9-6-10(9)14/h4-5,9-10,15H,6H2,1-3H3,(H,16,17)/t9-,10+/m0/s1.
What are the key properties of cis-(1R,2R)-N-[2,5-dimethyl-3-(methylamino)phenyl]-2-fluorocyclopropane-1-carboxamide?
cis-(1R,2R)-N-[2,5-dimethyl-3-(methylamino)phenyl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-[2,5-dimethyl-3-(methylamino)phenyl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135293118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).