N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide

C10H13F2N3O — CID 126793994

IUPACN-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide
SMILESCCn1ccnc1NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C10H13F2N3O/c1-2-15-4-3-13-9(15)14-8(16)7-5-10(11,12)6-7/h3-4,7H,2,5-6H2,1H3,(H,13,14,16)
InChIKeyASBHKUIZOHVKHL-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.89
Rot. Bonds3

About N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide

N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 126793994) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide
PubChem CID126793994
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC NameN-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide
SMILESCCn1ccnc1NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C10H13F2N3O/c1-2-15-4-3-13-9(15)14-8(16)7-5-10(11,12)6-7/h3-4,7H,2,5-6H2,1H3,(H,13,14,16)
InChIKeyASBHKUIZOHVKHL-UHFFFAOYSA-N
XLogP1.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylimidazol-2-yl)azetidine-2-carboxamide
CID 130964367
2-[(1-ethylimidazol-2-yl)amino]-2-oxoacetic acid
CID 131137829
N-[1-(2-methylpropyl)imidazol-2-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49264892
1-(4,4-difluorocyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 105115196
2-amino-N-(1-ethylimidazol-2-yl)butanamide
CID 131165493
N-(1-cyclopropylethyl)-1-ethylimidazol-2-amine
CID 62136953
3-[(1-ethylimidazol-2-yl)amino]-3-methylbutanoic acid
CID 64701562
(4S)-N-[1-(2-methylpropyl)imidazol-2-yl]-2,6-dioxo-1,3-diazinane-4-carboxamide
CID 154759445
1-[(1-ethylimidazol-2-yl)amino]cycloheptane-1-carboxylic acid
CID 62137475
3-[(1-ethylimidazol-2-yl)amino]butanoic acid
CID 62138209
2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid
CID 64700993
2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide
CID 62139157

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide (CID 126793994) is N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide is CCn1ccnc1NC(=O)C1CC(F)(F)C1.
What is the InChIKey of N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is ASBHKUIZOHVKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c1-2-15-4-3-13-9(15)14-8(16)7-5-10(11,12)6-7/h3-4,7H,2,5-6H2,1H3,(H,13,14,16).
What are the key properties of N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide?
N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 229.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylimidazol-2-yl)-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 126793994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).