N-[[4-[(4-aminophenyl)methylcarbamoylamino]-3-ethyl-2-fluorophenyl]methoxy]acetamide

C19H23FN4O3 — CID 140645770

IUPACN-[[4-[(4-aminophenyl)methylcarbamoylamino]-3-ethyl-2-fluorophenyl]methoxy]acetamide
SMILESCCc1c(NC(=O)NCc2ccc(N)cc2)ccc(CONC(C)=O)c1F
InChIInChI=1S/C19H23FN4O3/c1-3-16-17(9-6-14(18(16)20)11-27-24-12(2)25)23-19(26)22-10-13-4-7-15(21)8-5-13/h4-9H,3,10-11,21H2,1-2H3,(H,24,25)(H2,22,23,26)
InChIKeyBVIQLXXRVHVOKD-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.86
Rot. Bonds7

About N-[[4-[(4-aminophenyl)methylcarbamoylamino]-3-ethyl-2-fluorophenyl]methoxy]acetamide

N-[[4-[(4-aminophenyl)methylcarbamoylamino]-3-ethyl-2-fluorophenyl]methoxy]acetamide (PubChem CID 140645770) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[[4-[(4-aminophenyl)methylcarbamoylamino]-3-ethyl-2-fluorophenyl]methoxy]acetamide.

Molecular Properties

Compound NameN-[[4-[(4-aminophenyl)methylcarbamoylamino]-3-ethyl-2-fluorophenyl]methoxy]acetamide
PubChem CID140645770
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-[[4-[(4-aminophenyl)methylcarbamoylamino]-3-ethyl-2-fluorophenyl]methoxy]acetamide
SMILESCCc1c(NC(=O)NCc2ccc(N)cc2)ccc(CONC(C)=O)c1F
InChIInChI=1S/C19H23FN4O3/c1-3-16-17(9-6-14(18(16)20)11-27-24-12(2)25)23-19(26)22-10-13-4-7-15(21)8-5-13/h4-9H,3,10-11,21H2,1-2H3,(H,24,25)(H2,22,23,26)
InChIKeyBVIQLXXRVHVOKD-UHFFFAOYSA-N
XLogP2.86
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', '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 N-[[4-[(4-aminophenyl)methylcarbamoylamino]-3-ethyl-2-fluorophenyl]methoxy]acetamide?
The IUPAC name of N-[[4-[(4-aminophenyl)methylcarbamoylamino]-3-ethyl-2-fluorophenyl]methoxy]acetamide (CID 140645770) is N-[[4-[(4-aminophenyl)methylcarbamoylamino]-3-ethyl-2-fluorophenyl]methoxy]acetamide.
What is the SMILES notation for N-[[4-[(4-aminophenyl)methylcarbamoylamino]-3-ethyl-2-fluorophenyl]methoxy]acetamide?
The canonical SMILES for N-[[4-[(4-aminophenyl)methylcarbamoylamino]-3-ethyl-2-fluorophenyl]methoxy]acetamide is CCc1c(NC(=O)NCc2ccc(N)cc2)ccc(CONC(C)=O)c1F.
What is the InChIKey of N-[[4-[(4-aminophenyl)methylcarbamoylamino]-3-ethyl-2-fluorophenyl]methoxy]acetamide?
The InChIKey is BVIQLXXRVHVOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-3-16-17(9-6-14(18(16)20)11-27-24-12(2)25)23-19(26)22-10-13-4-7-15(21)8-5-13/h4-9H,3,10-11,21H2,1-2H3,(H,24,25)(H2,22,23,26).
What are the key properties of N-[[4-[(4-aminophenyl)methylcarbamoylamino]-3-ethyl-2-fluorophenyl]methoxy]acetamide?
N-[[4-[(4-aminophenyl)methylcarbamoylamino]-3-ethyl-2-fluorophenyl]methoxy]acetamide has a molecular weight of 374.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-aminophenyl)methylcarbamoylamino]-3-ethyl-2-fluorophenyl]methoxy]acetamide is sourced from PubChem (CID 140645770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).