N-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide

C18H24FN3O2 — CID 56887303

IUPACN-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide
SMILESCN(C)CC1[C@H]2CN(C(=O)CCNC(=O)c3ccc(F)cc3)C[C@@H]12
InChIInChI=1S/C18H24FN3O2/c1-21(2)9-14-15-10-22(11-16(14)15)17(23)7-8-20-18(24)12-3-5-13(19)6-4-12/h3-6,14-16H,7-11H2,1-2H3,(H,20,24)/t14?,15-,16+
InChIKeyXFHQLBFSKIZIFM-MQVJKMGUSA-N
MW333.41 g/mol
LogP1.21
Rot. Bonds6

About N-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide

N-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide (PubChem CID 56887303) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide
PubChem CID56887303
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC NameN-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide
SMILESCN(C)CC1[C@H]2CN(C(=O)CCNC(=O)c3ccc(F)cc3)C[C@@H]12
InChIInChI=1S/C18H24FN3O2/c1-21(2)9-14-15-10-22(11-16(14)15)17(23)7-8-20-18(24)12-3-5-13(19)6-4-12/h3-6,14-16H,7-11H2,1-2H3,(H,20,24)/t14?,15-,16+
InChIKeyXFHQLBFSKIZIFM-MQVJKMGUSA-N
XLogP1.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide with MolForge

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Related Compounds

4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
N-[3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-oxopropyl]-4-fluorobenzamide
CID 172662874
4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
CID 119489602
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
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CID 56747786
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-fluorobenzamide
CID 110371002
4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide
CID 110903684
4-fluoro-N-[3-oxo-3-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propyl]benzamide
CID 155919214
N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluorobenzamide
CID 119373798
1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 42878774
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
CID 94460063

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide?
The IUPAC name of N-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide (CID 56887303) is N-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide is CN(C)CC1[C@H]2CN(C(=O)CCNC(=O)c3ccc(F)cc3)C[C@@H]12.
What is the InChIKey of N-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide?
The InChIKey is XFHQLBFSKIZIFM-MQVJKMGUSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-21(2)9-14-15-10-22(11-16(14)15)17(23)7-8-20-18(24)12-3-5-13(19)6-4-12/h3-6,14-16H,7-11H2,1-2H3,(H,20,24)/t14?,15-,16+.
What are the key properties of N-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide?
N-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide has a molecular weight of 333.41 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide is sourced from PubChem (CID 56887303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).