N-[2-[[1-(2-amino-2-oxoethyl)cyclopropyl]methylamino]-2-oxoethyl]-4-fluorobenzamide

C15H18FN3O3 — CID 126820337

IUPACN-[2-[[1-(2-amino-2-oxoethyl)cyclopropyl]methylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESNC(=O)CC1(CNC(=O)CNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FN3O3/c16-11-3-1-10(2-4-11)14(22)18-8-13(21)19-9-15(5-6-15)7-12(17)20/h1-4H,5-9H2,(H2,17,20)(H,18,22)(H,19,21)
InChIKeyWZNHWVFKJRWHFX-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.33
Rot. Bonds7

About N-[2-[[1-(2-amino-2-oxoethyl)cyclopropyl]methylamino]-2-oxoethyl]-4-fluorobenzamide

N-[2-[[1-(2-amino-2-oxoethyl)cyclopropyl]methylamino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 126820337) has the molecular formula C15H18FN3O3 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-[2-[[1-(2-amino-2-oxoethyl)cyclopropyl]methylamino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[1-(2-amino-2-oxoethyl)cyclopropyl]methylamino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID126820337
Molecular FormulaC15H18FN3O3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC NameN-[2-[[1-(2-amino-2-oxoethyl)cyclopropyl]methylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESNC(=O)CC1(CNC(=O)CNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FN3O3/c16-11-3-1-10(2-4-11)14(22)18-8-13(21)19-9-15(5-6-15)7-12(17)20/h1-4H,5-9H2,(H2,17,20)(H,18,22)(H,19,21)
InChIKeyWZNHWVFKJRWHFX-UHFFFAOYSA-N
XLogP0.33
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 65113599
4-fluoro-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484978
3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide
CID 111660763
4-fluoro-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]benzamide
CID 131702305
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide
CID 115455987
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 60516608
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide
CID 111539734
4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 17426344
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26696338
4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide
CID 24647250

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(2-amino-2-oxoethyl)cyclopropyl]methylamino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[[1-(2-amino-2-oxoethyl)cyclopropyl]methylamino]-2-oxoethyl]-4-fluorobenzamide (CID 126820337) is N-[2-[[1-(2-amino-2-oxoethyl)cyclopropyl]methylamino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[[1-(2-amino-2-oxoethyl)cyclopropyl]methylamino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[[1-(2-amino-2-oxoethyl)cyclopropyl]methylamino]-2-oxoethyl]-4-fluorobenzamide is NC(=O)CC1(CNC(=O)CNC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[[1-(2-amino-2-oxoethyl)cyclopropyl]methylamino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is WZNHWVFKJRWHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c16-11-3-1-10(2-4-11)14(22)18-8-13(21)19-9-15(5-6-15)7-12(17)20/h1-4H,5-9H2,(H2,17,20)(H,18,22)(H,19,21).
What are the key properties of N-[2-[[1-(2-amino-2-oxoethyl)cyclopropyl]methylamino]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[[1-(2-amino-2-oxoethyl)cyclopropyl]methylamino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 307.32 g/mol, XLogP of 0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(2-amino-2-oxoethyl)cyclopropyl]methylamino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 126820337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).