N-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide

C14H19FN2O — CID 115183080

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
SMILESCNCC1(C(=O)N(C)Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H19FN2O/c1-16-10-14(6-7-14)13(18)17(2)9-11-4-3-5-12(15)8-11/h3-5,8,16H,6-7,9-10H2,1-2H3
InChIKeyDXEIHXFFGOVZQZ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.78
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide

N-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide (PubChem CID 115183080) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
PubChem CID115183080
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
SMILESCNCC1(C(=O)N(C)Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H19FN2O/c1-16-10-14(6-7-14)13(18)17(2)9-11-4-3-5-12(15)8-11/h3-5,8,16H,6-7,9-10H2,1-2H3
InChIKeyDXEIHXFFGOVZQZ-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65466557
methyl 1-[(3-fluorophenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylate
CID 115184479
3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 55164556
1-carbamothioyl-N-[(3-fluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 80592624
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183075
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
3-[(3-fluorophenyl)methyl-methylamino]-2-(methylamino)-3-oxopropanoic acid
CID 115189481
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182311
1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide
CID 115172406
2-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide (CID 115183080) is N-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide is CNCC1(C(=O)N(C)Cc2cccc(F)c2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The InChIKey is DXEIHXFFGOVZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-16-10-14(6-7-14)13(18)17(2)9-11-4-3-5-12(15)8-11/h3-5,8,16H,6-7,9-10H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide?
N-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115183080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).