3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide

C13H17FN2O — CID 110478929

IUPAC3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
SMILESNCCC(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O/c14-11-3-1-10(2-4-11)13(6-7-13)9-16-12(17)5-8-15/h1-4H,5-9,15H2,(H,16,17)
InChIKeySTMFIOWRPMQVRG-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.32
Rot. Bonds5

About 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide

3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide (PubChem CID 110478929) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
PubChem CID110478929
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
SMILESNCCC(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O/c14-11-3-1-10(2-4-11)13(6-7-13)9-16-12(17)5-8-15/h1-4H,5-9,15H2,(H,16,17)
InChIKeySTMFIOWRPMQVRG-UHFFFAOYSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110480778
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119731211
2-(dimethylamino)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide
CID 110479728
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide
CID 110482650
4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
CID 120561270
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide (CID 110478929) is 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide is NCCC(=O)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide?
The InChIKey is STMFIOWRPMQVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-11-3-1-10(2-4-11)13(6-7-13)9-16-12(17)5-8-15/h1-4H,5-9,15H2,(H,16,17).
What are the key properties of 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide?
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide has a molecular weight of 236.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 110478929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).