4-[(4-aminophenyl)methylcarbamoylamino]-N-[(2-fluorophenyl)methoxy]butanamide

C19H23FN4O3 — CID 123653834

IUPAC4-[(4-aminophenyl)methylcarbamoylamino]-N-[(2-fluorophenyl)methoxy]butanamide
SMILESNc1ccc(CNC(=O)NCCCC(=O)NOCc2ccccc2F)cc1
InChIInChI=1S/C19H23FN4O3/c20-17-5-2-1-4-15(17)13-27-24-18(25)6-3-11-22-19(26)23-12-14-7-9-16(21)10-8-14/h1-2,4-5,7-10H,3,6,11-13,21H2,(H,24,25)(H2,22,23,26)
InChIKeyVFZISWJIODTASK-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.24
Rot. Bonds9

About 4-[(4-aminophenyl)methylcarbamoylamino]-N-[(2-fluorophenyl)methoxy]butanamide

4-[(4-aminophenyl)methylcarbamoylamino]-N-[(2-fluorophenyl)methoxy]butanamide (PubChem CID 123653834) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methylcarbamoylamino]-N-[(2-fluorophenyl)methoxy]butanamide.

Molecular Properties

Compound Name4-[(4-aminophenyl)methylcarbamoylamino]-N-[(2-fluorophenyl)methoxy]butanamide
PubChem CID123653834
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name4-[(4-aminophenyl)methylcarbamoylamino]-N-[(2-fluorophenyl)methoxy]butanamide
SMILESNc1ccc(CNC(=O)NCCCC(=O)NOCc2ccccc2F)cc1
InChIInChI=1S/C19H23FN4O3/c20-17-5-2-1-4-15(17)13-27-24-18(25)6-3-11-22-19(26)23-12-14-7-9-16(21)10-8-14/h1-2,4-5,7-10H,3,6,11-13,21H2,(H,24,25)(H2,22,23,26)
InChIKeyVFZISWJIODTASK-UHFFFAOYSA-N
XLogP2.24
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methylcarbamoylamino]-N-[(2-fluorophenyl)methoxy]butanamide?
The IUPAC name of 4-[(4-aminophenyl)methylcarbamoylamino]-N-[(2-fluorophenyl)methoxy]butanamide (CID 123653834) is 4-[(4-aminophenyl)methylcarbamoylamino]-N-[(2-fluorophenyl)methoxy]butanamide.
What is the SMILES notation for 4-[(4-aminophenyl)methylcarbamoylamino]-N-[(2-fluorophenyl)methoxy]butanamide?
The canonical SMILES for 4-[(4-aminophenyl)methylcarbamoylamino]-N-[(2-fluorophenyl)methoxy]butanamide is Nc1ccc(CNC(=O)NCCCC(=O)NOCc2ccccc2F)cc1.
What is the InChIKey of 4-[(4-aminophenyl)methylcarbamoylamino]-N-[(2-fluorophenyl)methoxy]butanamide?
The InChIKey is VFZISWJIODTASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c20-17-5-2-1-4-15(17)13-27-24-18(25)6-3-11-22-19(26)23-12-14-7-9-16(21)10-8-14/h1-2,4-5,7-10H,3,6,11-13,21H2,(H,24,25)(H2,22,23,26).
What are the key properties of 4-[(4-aminophenyl)methylcarbamoylamino]-N-[(2-fluorophenyl)methoxy]butanamide?
4-[(4-aminophenyl)methylcarbamoylamino]-N-[(2-fluorophenyl)methoxy]butanamide has a molecular weight of 374.42 g/mol, XLogP of 2.24, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methylcarbamoylamino]-N-[(2-fluorophenyl)methoxy]butanamide is sourced from PubChem (CID 123653834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).