N-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide

C9H14F2N4O — CID 114383724

IUPACN-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide
SMILESNCC(F)(F)CNC(=O)CCn1ccnc1
InChIInChI=1S/C9H14F2N4O/c10-9(11,5-12)6-14-8(16)1-3-15-4-2-13-7-15/h2,4,7H,1,3,5-6,12H2,(H,14,16)
InChIKeyLYJAVYIUYACBTP-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.02
Rot. Bonds6

About N-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide

N-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide (PubChem CID 114383724) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide
PubChem CID114383724
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC NameN-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide
SMILESNCC(F)(F)CNC(=O)CCn1ccnc1
InChIInChI=1S/C9H14F2N4O/c10-9(11,5-12)6-14-8(16)1-3-15-4-2-13-7-15/h2,4,7H,1,3,5-6,12H2,(H,14,16)
InChIKeyLYJAVYIUYACBTP-UHFFFAOYSA-N
XLogP-0.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-imidazol-1-ylpropanoylamino)-2,2-dimethylpropanoic acid
CID 115427121
N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide
CID 66171307
N-(2-aminopropyl)-3-imidazol-1-ylpropanamide
CID 63733352
N-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride
CID 119597830
3-imidazol-1-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;dihydrochloride
CID 120811822
3-imidazol-1-ylpropanamide;hydrate
CID 70092717
N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide
CID 111483635
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
(3S)-5-(3-imidazol-1-ylpropanoylamino)-3-methylpentanamide
CID 173104435
N-(4-hydroxypentyl)-3-imidazol-1-ylpropanamide
CID 107299783
N-(2-aminoethyl)-5-[3-(3-imidazol-1-ylpropylamino)-3-oxopropoxy]-4,4-bis[[3-(3-imidazol-1-ylpropylamino)-3-oxopropoxy]methyl]pentanamide
CID 25026789
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-imidazol-1-ylbutanamide
CID 109380543

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide (CID 114383724) is N-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide is NCC(F)(F)CNC(=O)CCn1ccnc1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide?
The InChIKey is LYJAVYIUYACBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c10-9(11,5-12)6-14-8(16)1-3-15-4-2-13-7-15/h2,4,7H,1,3,5-6,12H2,(H,14,16).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide?
N-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide has a molecular weight of 232.23 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 114383724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).