1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide

C12H15FN2O — CID 65466557

IUPAC1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)C1(N)CC1
InChIInChI=1S/C12H15FN2O/c1-15(11(16)12(14)5-6-12)8-9-3-2-4-10(13)7-9/h2-4,7H,5-6,8,14H2,1H3
InChIKeyZMVIHFKBOHRDRY-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.28
Rot. Bonds3

About 1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide

1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 65466557) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
PubChem CID65466557
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)C1(N)CC1
InChIInChI=1S/C12H15FN2O/c1-15(11(16)12(14)5-6-12)8-9-3-2-4-10(13)7-9/h2-4,7H,5-6,8,14H2,1H3
InChIKeyZMVIHFKBOHRDRY-UHFFFAOYSA-N
XLogP1.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[(3,4-difluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119717238
methyl 1-[(3-fluorophenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylate
CID 115184479
1-carbamothioyl-N-[(3-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80592624
1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide
CID 65464041
N-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183080
1-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119822061
1-amino-N-[(3-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119285924
3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 55164556
1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119268138
1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopropane-1-carboxamide;hydrochloride
CID 119786800
2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide
CID 79810018
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide (CID 65466557) is 1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide is CN(Cc1cccc(F)c1)C(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is ZMVIHFKBOHRDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-15(11(16)12(14)5-6-12)8-9-3-2-4-10(13)7-9/h2-4,7H,5-6,8,14H2,1H3.
What are the key properties of 1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide?
1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 222.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 65466557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).