2-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl-methylamino]-N-methylacetamide

C19H23FN4O2 — CID 156824675

IUPAC2-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)Cc1ccc(NC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN4O2/c1-21-18(25)13-24(2)12-15-5-9-17(10-6-15)23-19(26)22-11-14-3-7-16(20)8-4-14/h3-10H,11-13H2,1-2H3,(H,21,25)(H2,22,23,26)
InChIKeyWUBVUTAUEJUGFM-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.33
Rot. Bonds7

About 2-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl-methylamino]-N-methylacetamide

2-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl-methylamino]-N-methylacetamide (PubChem CID 156824675) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl-methylamino]-N-methylacetamide
PubChem CID156824675
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name2-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)Cc1ccc(NC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN4O2/c1-21-18(25)13-24(2)12-15-5-9-17(10-6-15)23-19(26)22-11-14-3-7-16(20)8-4-14/h3-10H,11-13H2,1-2H3,(H,21,25)(H2,22,23,26)
InChIKeyWUBVUTAUEJUGFM-UHFFFAOYSA-N
XLogP2.33
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl-methylamino]-N-methylacetamide (CID 156824675) is 2-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)Cc1ccc(NC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl-methylamino]-N-methylacetamide?
The InChIKey is WUBVUTAUEJUGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-21-18(25)13-24(2)12-15-5-9-17(10-6-15)23-19(26)22-11-14-3-7-16(20)8-4-14/h3-10H,11-13H2,1-2H3,(H,21,25)(H2,22,23,26).
What are the key properties of 2-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl-methylamino]-N-methylacetamide?
2-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl-methylamino]-N-methylacetamide has a molecular weight of 358.42 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 156824675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).