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

C11H11F2NO — CID 841868

IUPACcis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C11H11F2NO/c1-6-4-8(6)11(15)14-10-5-7(12)2-3-9(10)13/h2-3,5-6,8H,4H2,1H3,(H,14,15)/t6-,8+/m1/s1
InChIKeyFQBRESKKJAUMQD-SVRRBLITSA-N
MW211.21 g/mol
LogP2.56
Rot. Bonds2

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

cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 841868) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide
PubChem CID841868
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Namecis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C11H11F2NO/c1-6-4-8(6)11(15)14-10-5-7(12)2-3-9(10)13/h2-3,5-6,8H,4H2,1H3,(H,14,15)/t6-,8+/m1/s1
InChIKeyFQBRESKKJAUMQD-SVRRBLITSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 7777713
N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 71979004
trans-(1R,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 7100103
1-N,2-N-bis(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144111
N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 81271769
5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 110907395
N-(2,4-difluorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38764784
N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214007
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
N-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
CID 60589532
N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 43259106
2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60941976

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide (CID 841868) is cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@@H]1C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is FQBRESKKJAUMQD-SVRRBLITSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-6-4-8(6)11(15)14-10-5-7(12)2-3-9(10)13/h2-3,5-6,8H,4H2,1H3,(H,14,15)/t6-,8+/m1/s1.
What are the key properties of cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 211.21 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 841868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).