N-(2-amino-4-fluorophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide

C14H15FN4O2 — CID 80579564

IUPACN-(2-amino-4-fluorophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
SMILESNc1cc(F)ccc1NC(=O)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C14H15FN4O2/c15-9-1-4-12(11(16)7-9)17-13(20)8-18-5-6-19(14(18)21)10-2-3-10/h1,4-7,10H,2-3,8,16H2,(H,17,20)
InChIKeyOVXUTHQVHVAVLB-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.34
Rot. Bonds4

About N-(2-amino-4-fluorophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide

N-(2-amino-4-fluorophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide (PubChem CID 80579564) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
PubChem CID80579564
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC NameN-(2-amino-4-fluorophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
SMILESNc1cc(F)ccc1NC(=O)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C14H15FN4O2/c15-9-1-4-12(11(16)7-9)17-13(20)8-18-5-6-19(14(18)21)10-2-3-10/h1,4-7,10H,2-3,8,16H2,(H,17,20)
InChIKeyOVXUTHQVHVAVLB-UHFFFAOYSA-N
XLogP1.34
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
CID 80579705
1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16792068
N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
CID 63558377
N-(3-bromophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
CID 116625442
N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 16779735
N-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide
CID 63115470
N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 43519004
N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440078
N-(2-amino-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]acetamide
CID 62885358
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
CID 80579365
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]-3-cyclopropylimidazol-2-one
CID 80579713

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide (CID 80579564) is N-(2-amino-4-fluorophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide is Nc1cc(F)ccc1NC(=O)Cn1ccn(C2CC2)c1=O.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide?
The InChIKey is OVXUTHQVHVAVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-9-1-4-12(11(16)7-9)17-13(20)8-18-5-6-19(14(18)21)10-2-3-10/h1,4-7,10H,2-3,8,16H2,(H,17,20).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide?
N-(2-amino-4-fluorophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide has a molecular weight of 290.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide is sourced from PubChem (CID 80579564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).