N-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide

C15H17FN4O — CID 66163750

IUPACN-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2cncn2C2CC2)ccc1F
InChIInChI=1S/C15H17FN4O/c1-10(21)19-15-6-11(2-5-14(15)16)18-8-13-7-17-9-20(13)12-3-4-12/h2,5-7,9,12,18H,3-4,8H2,1H3,(H,19,21)
InChIKeyJWEIVBLWTJMEKP-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.93
Rot. Bonds5

About N-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide

N-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide (PubChem CID 66163750) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide
PubChem CID66163750
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2cncn2C2CC2)ccc1F
InChIInChI=1S/C15H17FN4O/c1-10(21)19-15-6-11(2-5-14(15)16)18-8-13-7-17-9-20(13)12-3-4-12/h2,5-7,9,12,18H,3-4,8H2,1H3,(H,19,21)
InChIKeyJWEIVBLWTJMEKP-UHFFFAOYSA-N
XLogP2.93
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide (CID 66163750) is N-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(NCc2cncn2C2CC2)ccc1F.
What is the InChIKey of N-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide?
The InChIKey is JWEIVBLWTJMEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-10(21)19-15-6-11(2-5-14(15)16)18-8-13-7-17-9-20(13)12-3-4-12/h2,5-7,9,12,18H,3-4,8H2,1H3,(H,19,21).
What are the key properties of N-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide?
N-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide has a molecular weight of 288.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-cyclopropylimidazol-4-yl)methylamino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 66163750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).