2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methyl]acetamide

C19H23FN4O2 — CID 67255570

IUPAC2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1ccccc1F)C(=O)CNC(=O)NCc1ccc(N)cc1
InChIInChI=1S/C19H23FN4O2/c1-2-24(13-15-5-3-4-6-17(15)20)18(25)12-23-19(26)22-11-14-7-9-16(21)10-8-14/h3-10H,2,11-13,21H2,1H3,(H2,22,23,26)
InChIKeyQNTONAKIOXJMHY-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.26
Rot. Bonds7

About 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methyl]acetamide

2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 67255570) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID67255570
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1ccccc1F)C(=O)CNC(=O)NCc1ccc(N)cc1
InChIInChI=1S/C19H23FN4O2/c1-2-24(13-15-5-3-4-6-17(15)20)18(25)12-23-19(26)22-11-14-7-9-16(21)10-8-14/h3-10H,2,11-13,21H2,1H3,(H2,22,23,26)
InChIKeyQNTONAKIOXJMHY-UHFFFAOYSA-N
XLogP2.26
TPSA87.46 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 ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methyl]acetamide (CID 67255570) is 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methyl]acetamide is CCN(Cc1ccccc1F)C(=O)CNC(=O)NCc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is QNTONAKIOXJMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-2-24(13-15-5-3-4-6-17(15)20)18(25)12-23-19(26)22-11-14-7-9-16(21)10-8-14/h3-10H,2,11-13,21H2,1H3,(H2,22,23,26).
What are the key properties of 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methyl]acetamide?
2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 358.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 67255570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).