6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide

C16H23FN2O — CID 110482650

IUPAC6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide
SMILESNCCCCCC(=O)NCC1(c2cccc(F)c2)CC1
InChIInChI=1S/C16H23FN2O/c17-14-6-4-5-13(11-14)16(8-9-16)12-19-15(20)7-2-1-3-10-18/h4-6,11H,1-3,7-10,12,18H2,(H,19,20)
InChIKeyMHYIVWRKHFTVAA-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.49
Rot. Bonds8

About 6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide

6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide (PubChem CID 110482650) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide
PubChem CID110482650
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide
SMILESNCCCCCC(=O)NCC1(c2cccc(F)c2)CC1
InChIInChI=1S/C16H23FN2O/c17-14-6-4-5-13(11-14)16(8-9-16)12-19-15(20)7-2-1-3-10-18/h4-6,11H,1-3,7-10,12,18H2,(H,19,20)
InChIKeyMHYIVWRKHFTVAA-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 110479509
7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119770559
7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119765182
3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120611193
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride
CID 119816174
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide
CID 119769932
7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide
CID 119758062
1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
6-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]hexanamide
CID 110482606
(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 119332783

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide?
The IUPAC name of 6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide (CID 110482650) is 6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide.
What is the SMILES notation for 6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide?
The canonical SMILES for 6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide is NCCCCCC(=O)NCC1(c2cccc(F)c2)CC1.
What is the InChIKey of 6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide?
The InChIKey is MHYIVWRKHFTVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c17-14-6-4-5-13(11-14)16(8-9-16)12-19-15(20)7-2-1-3-10-18/h4-6,11H,1-3,7-10,12,18H2,(H,19,20).
What are the key properties of 6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide?
6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide has a molecular weight of 278.37 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide is sourced from PubChem (CID 110482650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).