N-[4-fluoro-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]carbamoyl]amino]phenyl]acetamide

C17H22FN5O2 — CID 118795112

IUPACN-[4-fluoro-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]carbamoyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)N(C)CCCc2nccn2C)c1
InChIInChI=1S/C17H22FN5O2/c1-12(24)20-13-6-7-14(18)15(11-13)21-17(25)23(3)9-4-5-16-19-8-10-22(16)2/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyUUJUYVQYIURSLU-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.61
Rot. Bonds6

About N-[4-fluoro-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]carbamoyl]amino]phenyl]acetamide

N-[4-fluoro-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]carbamoyl]amino]phenyl]acetamide (PubChem CID 118795112) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[4-fluoro-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]carbamoyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]carbamoyl]amino]phenyl]acetamide
PubChem CID118795112
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC NameN-[4-fluoro-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]carbamoyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)N(C)CCCc2nccn2C)c1
InChIInChI=1S/C17H22FN5O2/c1-12(24)20-13-6-7-14(18)15(11-13)21-17(25)23(3)9-4-5-16-19-8-10-22(16)2/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyUUJUYVQYIURSLU-UHFFFAOYSA-N
XLogP2.61
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]carbamoyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]carbamoyl]amino]phenyl]acetamide (CID 118795112) is N-[4-fluoro-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]carbamoyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]carbamoyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]carbamoyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(F)c(NC(=O)N(C)CCCc2nccn2C)c1.
What is the InChIKey of N-[4-fluoro-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]carbamoyl]amino]phenyl]acetamide?
The InChIKey is UUJUYVQYIURSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-12(24)20-13-6-7-14(18)15(11-13)21-17(25)23(3)9-4-5-16-19-8-10-22(16)2/h6-8,10-11H,4-5,9H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N-[4-fluoro-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]carbamoyl]amino]phenyl]acetamide?
N-[4-fluoro-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]carbamoyl]amino]phenyl]acetamide has a molecular weight of 347.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]carbamoyl]amino]phenyl]acetamide is sourced from PubChem (CID 118795112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).