1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide

C13H15FN2O2 — CID 110473612

IUPAC1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide
SMILESCNC(=O)CNC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C13H15FN2O2/c1-15-11(17)8-16-12(18)13(6-7-13)9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyCLDQQYCZXPWMFZ-UHFFFAOYSA-N
MW250.27 g/mol
LogP0.72
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide (PubChem CID 110473612) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide
PubChem CID110473612
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide
SMILESCNC(=O)CNC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C13H15FN2O2/c1-15-11(17)8-16-12(18)13(6-7-13)9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyCLDQQYCZXPWMFZ-UHFFFAOYSA-N
XLogP0.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 110466030
ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate
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1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)cyclopropane-1-carboxamide
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1-(2-fluorophenyl)-N-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
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1-(2-fluorophenyl)-N-(5-hydroxypentyl)cyclopropane-1-carboxamide
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1-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
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CID 56793387
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CID 109380998

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide (CID 110473612) is 1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide is CNC(=O)CNC(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide?
The InChIKey is CLDQQYCZXPWMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-15-11(17)8-16-12(18)13(6-7-13)9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide has a molecular weight of 250.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 110473612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).