2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide

C13H17FN2O — CID 55036056

IUPAC2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)C1CC1N
InChIInChI=1S/C13H17FN2O/c1-2-16(13(17)11-7-12(11)15)8-9-4-3-5-10(14)6-9/h3-6,11-12H,2,7-8,15H2,1H3
InChIKeyYDUYZNHEBXOWIM-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.52
Rot. Bonds4

About 2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide

2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 55036056) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
PubChem CID55036056
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)C1CC1N
InChIInChI=1S/C13H17FN2O/c1-2-16(13(17)11-7-12(11)15)8-9-4-3-5-10(14)6-9/h3-6,11-12H,2,7-8,15H2,1H3
InChIKeyYDUYZNHEBXOWIM-UHFFFAOYSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 97033071
3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550301
N,4-diethyl-N-[(3-fluorophenyl)methyl]piperidine-2-carboxamide
CID 114428396
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 64824765
1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 81489842
3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 38162216
(E)-4-[ethyl-[(3-fluorophenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54874794
(2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylpentanamide
CID 61173559
3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide
CID 106111947
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide (CID 55036056) is 2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide is CCN(Cc1cccc(F)c1)C(=O)C1CC1N.
What is the InChIKey of 2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is YDUYZNHEBXOWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-2-16(13(17)11-7-12(11)15)8-9-4-3-5-10(14)6-9/h3-6,11-12H,2,7-8,15H2,1H3.
What are the key properties of 2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide?
2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55036056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).