1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide

C13H17FN2O3 — CID 119747542

IUPAC1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2(N)CC2)cc1F
InChIInChI=1S/C13H17FN2O3/c1-18-6-7-19-11-3-2-9(8-10(11)14)16-12(17)13(15)4-5-13/h2-3,8H,4-7,15H2,1H3,(H,16,17)
InChIKeyVDAOZQKQMKQJDV-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.28
Rot. Bonds6

About 1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide

1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide (PubChem CID 119747542) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
PubChem CID119747542
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2(N)CC2)cc1F
InChIInChI=1S/C13H17FN2O3/c1-18-6-7-19-11-3-2-9(8-10(11)14)16-12(17)13(15)4-5-13/h2-3,8H,4-7,15H2,1H3,(H,16,17)
InChIKeyVDAOZQKQMKQJDV-UHFFFAOYSA-N
XLogP1.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 65465257
2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide
CID 119302610
1-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717596
1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119898305
2-[3-fluoro-4-(2-methoxyethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168608748
1-amino-N-(4-chloro-3-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119708317
N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide
CID 60574223
1-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclohexane-1-carboxamide
CID 43704144
1-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 64550833
1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119898304
ethyl 3-[[3-fluoro-4-(2-methoxyethoxy)phenyl]carbamoyl-methylamino]propanoate
CID 75510521
4-chloro-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-3-oxo-1,2-thiazole-5-carboxamide
CID 119052121

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide (CID 119747542) is 1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide is COCCOc1ccc(NC(=O)C2(N)CC2)cc1F.
What is the InChIKey of 1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide?
The InChIKey is VDAOZQKQMKQJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-18-6-7-19-11-3-2-9(8-10(11)14)16-12(17)13(15)4-5-13/h2-3,8H,4-7,15H2,1H3,(H,16,17).
What are the key properties of 1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide?
1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119747542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).