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

C19H23FN4O3 — CID 87327438

IUPAC2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methoxy]acetamide
SMILESCCN(OCc1ccccc1F)C(=O)CNC(=O)NCc1ccc(N)cc1
InChIInChI=1S/C19H23FN4O3/c1-2-24(27-13-15-5-3-4-6-17(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)
InChIKeyVBEJYSXHMSCBLW-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.19
Rot. Bonds8

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

2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methoxy]acetamide (PubChem CID 87327438) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methoxy]acetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methoxy]acetamide
PubChem CID87327438
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methoxy]acetamide
SMILESCCN(OCc1ccccc1F)C(=O)CNC(=O)NCc1ccc(N)cc1
InChIInChI=1S/C19H23FN4O3/c1-2-24(27-13-15-5-3-4-6-17(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)
InChIKeyVBEJYSXHMSCBLW-UHFFFAOYSA-N
XLogP2.19
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.19
H-Bond Donors ≤ 53
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'}

Analyze 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-phenylmethoxyacetamide
CID 88940996
2-methyl-N-phenylmethoxy-2-[4-(trifluoromethyl)anilino]propanamide
CID 154721786
N-(2-cyano-4-fluorophenyl)-N'-methyl-N'-phenylmethoxyoxamide
CID 91650954
benzyl N-(4-fluorophenyl)-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 19063809
N-[[4-(3-fluoro-4-piperazin-1-ylphenyl)-5H-1,2-oxazol-2-yl]methyl]acetamide
CID 20619494
2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methyl]acetamide
CID 67255570
2-oxo-N-phenyl-2-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 91475346
4-[(4-aminophenyl)methylcarbamoylamino]-N-[(2-fluorophenyl)methoxy]butanamide
CID 123653834
N-[(2S)-1-[4-(3-aminopropyl)-5-(2,5-difluorophenyl)-2-phenyloxadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 140503654
N-[[4-[(4-aminophenyl)methylcarbamoylamino]-3-ethyl-2-fluorophenyl]methoxy]acetamide
CID 140645770
1-[(4-Aminophenyl)methyl]-3-[2-[ethyl-[(2-fluorophenyl)methoxy]amino]prop-2-enyl]urea
CID 144209012
2-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl-methylamino]-N-methylacetamide
CID 156824675

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methoxy]acetamide?
The IUPAC name of 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methoxy]acetamide (CID 87327438) is 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methoxy]acetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methoxy]acetamide?
The canonical SMILES for 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methoxy]acetamide is CCN(OCc1ccccc1F)C(=O)CNC(=O)NCc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methoxy]acetamide?
The InChIKey is VBEJYSXHMSCBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-2-24(27-13-15-5-3-4-6-17(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)methoxy]acetamide?
2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methoxy]acetamide has a molecular weight of 374.42 g/mol, XLogP of 2.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methylcarbamoylamino]-N-ethyl-N-[(2-fluorophenyl)methoxy]acetamide is sourced from PubChem (CID 87327438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).