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

C12H14FNO — CID 7777713

IUPACcis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C12H14FNO/c1-7-3-4-9(13)6-11(7)14-12(15)10-5-8(10)2/h3-4,6,8,10H,5H2,1-2H3,(H,14,15)/t8-,10+/m0/s1
InChIKeyFRGJTDTVLSBURU-WCBMZHEXSA-N
MW207.25 g/mol
LogP2.73
Rot. Bonds2

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

cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 7777713) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
PubChem CID7777713
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Namecis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C12H14FNO/c1-7-3-4-9(13)6-11(7)14-12(15)10-5-8(10)2/h3-4,6,8,10H,5H2,1-2H3,(H,14,15)/t8-,10+/m0/s1
InChIKeyFRGJTDTVLSBURU-WCBMZHEXSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide
CID 841868
N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 71979004
N-(5-fluoro-2-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013638
N-(5-bromo-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 43806366
3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782434
(1S)-N-(5-fluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 137467542
1-N-(2,5-dimethylphenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109141591
(1S,5R)-N-(5-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51451511
(1R,5R)-N-(5-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 98398540
trans-(1R,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 7100103
4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide
CID 79526871
1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719829

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide (CID 7777713) is cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide is Cc1ccc(F)cc1NC(=O)[C@@H]1C[C@@H]1C.
What is the InChIKey of cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is FRGJTDTVLSBURU-WCBMZHEXSA-N. The full InChI is InChI=1S/C12H14FNO/c1-7-3-4-9(13)6-11(7)14-12(15)10-5-8(10)2/h3-4,6,8,10H,5H2,1-2H3,(H,14,15)/t8-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 207.25 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 7777713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).