2-fluoro-N-[3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]phenyl]-N-(2-methylpropyl)benzamide

C23H27FN4O — CID 167484600

IUPAC2-fluoro-N-[3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]phenyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1ccccc1F)c1cccc(N(C)Cc2cncn2C)c1
InChIInChI=1S/C23H27FN4O/c1-17(2)14-28(23(29)21-10-5-6-11-22(21)24)19-9-7-8-18(12-19)26(3)15-20-13-25-16-27(20)4/h5-13,16-17H,14-15H2,1-4H3
InChIKeyNYDVKEGOWMDQQV-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.50
Rot. Bonds7

About 2-fluoro-N-[3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]phenyl]-N-(2-methylpropyl)benzamide

2-fluoro-N-[3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]phenyl]-N-(2-methylpropyl)benzamide (PubChem CID 167484600) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is 2-fluoro-N-[3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]phenyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]phenyl]-N-(2-methylpropyl)benzamide
PubChem CID167484600
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name2-fluoro-N-[3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]phenyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1ccccc1F)c1cccc(N(C)Cc2cncn2C)c1
InChIInChI=1S/C23H27FN4O/c1-17(2)14-28(23(29)21-10-5-6-11-22(21)24)19-9-7-8-18(12-19)26(3)15-20-13-25-16-27(20)4/h5-13,16-17H,14-15H2,1-4H3
InChIKeyNYDVKEGOWMDQQV-UHFFFAOYSA-N
XLogP4.50
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]phenyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-fluoro-N-[3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]phenyl]-N-(2-methylpropyl)benzamide (CID 167484600) is 2-fluoro-N-[3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]phenyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]phenyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-fluoro-N-[3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]phenyl]-N-(2-methylpropyl)benzamide is CC(C)CN(C(=O)c1ccccc1F)c1cccc(N(C)Cc2cncn2C)c1.
What is the InChIKey of 2-fluoro-N-[3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]phenyl]-N-(2-methylpropyl)benzamide?
The InChIKey is NYDVKEGOWMDQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-17(2)14-28(23(29)21-10-5-6-11-22(21)24)19-9-7-8-18(12-19)26(3)15-20-13-25-16-27(20)4/h5-13,16-17H,14-15H2,1-4H3.
What are the key properties of 2-fluoro-N-[3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]phenyl]-N-(2-methylpropyl)benzamide?
2-fluoro-N-[3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]phenyl]-N-(2-methylpropyl)benzamide has a molecular weight of 394.49 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[methyl-[(3-methylimidazol-4-yl)methyl]amino]phenyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 167484600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).