1-[3-(fluoromethyl)phenyl]-N-methoxy-N-methylcyclopropane-1-carboxamide

C13H16FNO2 — CID 118460867

IUPAC1-[3-(fluoromethyl)phenyl]-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1(c2cccc(CF)c2)CC1
InChIInChI=1S/C13H16FNO2/c1-15(17-2)12(16)13(6-7-13)11-5-3-4-10(8-11)9-14/h3-5,8H,6-7,9H2,1-2H3
InChIKeyOLJQBHWBFYRUPZ-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.21
Rot. Bonds4

About 1-[3-(fluoromethyl)phenyl]-N-methoxy-N-methylcyclopropane-1-carboxamide

1-[3-(fluoromethyl)phenyl]-N-methoxy-N-methylcyclopropane-1-carboxamide (PubChem CID 118460867) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[3-(fluoromethyl)phenyl]-N-methoxy-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[3-(fluoromethyl)phenyl]-N-methoxy-N-methylcyclopropane-1-carboxamide
PubChem CID118460867
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-[3-(fluoromethyl)phenyl]-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1(c2cccc(CF)c2)CC1
InChIInChI=1S/C13H16FNO2/c1-15(17-2)12(16)13(6-7-13)11-5-3-4-10(8-11)9-14/h3-5,8H,6-7,9H2,1-2H3
InChIKeyOLJQBHWBFYRUPZ-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-[3-(fluoromethyl)phenyl]cyclopropyl]ethylidene]hydroxylamine
CID 118460968
1-[3-(fluoromethyl)phenyl]cyclopropan-1-ol
CID 117276391
2-[4-[[3-(fluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methoxy-N-methylacetamide
CID 54288114
N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide
CID 164919372
N-methoxy-N-methyl-4-phenylbicyclo[2.2.2]octane-1-carboxamide
CID 59379799
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]cyclobutane-1-carboxylic acid
CID 117114251
N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 100788749
1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117379310
N-(2-hydroxypropyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62335163
N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 143002886
N-methyl-1-phenylcyclopropane-1-carbohydrazide
CID 116846008

Frequently Asked Questions

What is the IUPAC name of 1-[3-(fluoromethyl)phenyl]-N-methoxy-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-[3-(fluoromethyl)phenyl]-N-methoxy-N-methylcyclopropane-1-carboxamide (CID 118460867) is 1-[3-(fluoromethyl)phenyl]-N-methoxy-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[3-(fluoromethyl)phenyl]-N-methoxy-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[3-(fluoromethyl)phenyl]-N-methoxy-N-methylcyclopropane-1-carboxamide is CON(C)C(=O)C1(c2cccc(CF)c2)CC1.
What is the InChIKey of 1-[3-(fluoromethyl)phenyl]-N-methoxy-N-methylcyclopropane-1-carboxamide?
The InChIKey is OLJQBHWBFYRUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-15(17-2)12(16)13(6-7-13)11-5-3-4-10(8-11)9-14/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of 1-[3-(fluoromethyl)phenyl]-N-methoxy-N-methylcyclopropane-1-carboxamide?
1-[3-(fluoromethyl)phenyl]-N-methoxy-N-methylcyclopropane-1-carboxamide has a molecular weight of 237.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(fluoromethyl)phenyl]-N-methoxy-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 118460867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).