trans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide

C13H15ClFNO — CID 95625877

IUPACtrans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)NCCc1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFNO/c1-8-6-11(8)13(17)16-5-4-9-2-3-10(15)7-12(9)14/h2-3,7-8,11H,4-6H2,1H3,(H,16,17)/t8-,11-/m0/s1
InChIKeyGELDWJLUKQXVMC-KWQFWETISA-N
MW255.72 g/mol
LogP2.79
Rot. Bonds4

About trans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 95625877) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is trans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID95625877
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Nametrans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)NCCc1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFNO/c1-8-6-11(8)13(17)16-5-4-9-2-3-10(15)7-12(9)14/h2-3,7-8,11H,4-6H2,1H3,(H,16,17)/t8-,11-/m0/s1
InChIKeyGELDWJLUKQXVMC-KWQFWETISA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 890242
(E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
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N-[3-(3-chlorophenyl)propyl]butanamide
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N-[3-(3-chlorophenyl)propyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide (CID 95625877) is trans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@@H]1C(=O)NCCc1ccc(F)cc1Cl.
What is the InChIKey of trans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is GELDWJLUKQXVMC-KWQFWETISA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-8-6-11(8)13(17)16-5-4-9-2-3-10(15)7-12(9)14/h2-3,7-8,11H,4-6H2,1H3,(H,16,17)/t8-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 255.72 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 95625877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).