4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide

C17H17FN2O2 — CID 82069780

IUPAC4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide
SMILESC=CCOc1cc(C(=O)NCc2ccc(F)cc2)ccc1N
InChIInChI=1S/C17H17FN2O2/c1-2-9-22-16-10-13(5-8-15(16)19)17(21)20-11-12-3-6-14(18)7-4-12/h2-8,10H,1,9,11,19H2,(H,20,21)
InChIKeyDIPRARJPMCKTDA-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.90
Rot. Bonds6

About 4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide

4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide (PubChem CID 82069780) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide
PubChem CID82069780
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide
SMILESC=CCOc1cc(C(=O)NCc2ccc(F)cc2)ccc1N
InChIInChI=1S/C17H17FN2O2/c1-2-9-22-16-10-13(5-8-15(16)19)17(21)20-11-12-3-6-14(18)7-4-12/h2-8,10H,1,9,11,19H2,(H,20,21)
InChIKeyDIPRARJPMCKTDA-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide 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

4-amino-N-benzyl-3-prop-2-enoxybenzamide
CID 82069770
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
CID 92647071
3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide
CID 171538005
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide
CID 55575895
N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46586210
4-amino-N-[(4-bromophenyl)methyl]-3-methoxybenzamide
CID 104782310
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane
CID 171537977
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide
CID 4807069

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide?
The IUPAC name of 4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide (CID 82069780) is 4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide.
What is the SMILES notation for 4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide?
The canonical SMILES for 4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide is C=CCOc1cc(C(=O)NCc2ccc(F)cc2)ccc1N.
What is the InChIKey of 4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide?
The InChIKey is DIPRARJPMCKTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-2-9-22-16-10-13(5-8-15(16)19)17(21)20-11-12-3-6-14(18)7-4-12/h2-8,10H,1,9,11,19H2,(H,20,21).
What are the key properties of 4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide?
4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide has a molecular weight of 300.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide is sourced from PubChem (CID 82069780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).