4-[(Z)-1-amino-2-(4-fluoroanilino)prop-1-enyl]-2-(ethylaminomethyl)benzaldehyde

C19H22FN3O — CID 143100015

IUPAC4-[(Z)-1-amino-2-(4-fluoroanilino)prop-1-enyl]-2-(ethylaminomethyl)benzaldehyde
SMILESCCNCc1cc(/C(N)=C(\C)Nc2ccc(F)cc2)ccc1C=O
InChIInChI=1S/C19H22FN3O/c1-3-22-11-16-10-14(4-5-15(16)12-24)19(21)13(2)23-18-8-6-17(20)7-9-18/h4-10,12,22-23H,3,11,21H2,1-2H3/b19-13-
InChIKeyVMASYZDRXOZMPT-UYRXBGFRSA-N
MW327.40 g/mol
LogP3.51
Rot. Bonds7

About 4-[(Z)-1-amino-2-(4-fluoroanilino)prop-1-enyl]-2-(ethylaminomethyl)benzaldehyde

4-[(Z)-1-amino-2-(4-fluoroanilino)prop-1-enyl]-2-(ethylaminomethyl)benzaldehyde (PubChem CID 143100015) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 4-[(Z)-1-amino-2-(4-fluoroanilino)prop-1-enyl]-2-(ethylaminomethyl)benzaldehyde.

Molecular Properties

Compound Name4-[(Z)-1-amino-2-(4-fluoroanilino)prop-1-enyl]-2-(ethylaminomethyl)benzaldehyde
PubChem CID143100015
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name4-[(Z)-1-amino-2-(4-fluoroanilino)prop-1-enyl]-2-(ethylaminomethyl)benzaldehyde
SMILESCCNCc1cc(/C(N)=C(\C)Nc2ccc(F)cc2)ccc1C=O
InChIInChI=1S/C19H22FN3O/c1-3-22-11-16-10-14(4-5-15(16)12-24)19(21)13(2)23-18-8-6-17(20)7-9-18/h4-10,12,22-23H,3,11,21H2,1-2H3/b19-13-
InChIKeyVMASYZDRXOZMPT-UYRXBGFRSA-N
XLogP3.51
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-1-amino-2-(4-fluoroanilino)prop-1-enyl]-2-[[2-fluoropropyl(methyl)amino]methyl]benzaldehyde
CID 143100018
4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde
CID 117276677
3-ethyl-4-formylbenzamide
CID 123649446
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
N'-(4-fluorophenyl)propanediamide
CID 18174009
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
CID 45001370
ethyl 5-fluoro-2-formylbenzoate
CID 124705480
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 46328885
N-(4-fluorophenyl)-3-propylbenzamide
CID 67124945

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-amino-2-(4-fluoroanilino)prop-1-enyl]-2-(ethylaminomethyl)benzaldehyde?
The IUPAC name of 4-[(Z)-1-amino-2-(4-fluoroanilino)prop-1-enyl]-2-(ethylaminomethyl)benzaldehyde (CID 143100015) is 4-[(Z)-1-amino-2-(4-fluoroanilino)prop-1-enyl]-2-(ethylaminomethyl)benzaldehyde.
What is the SMILES notation for 4-[(Z)-1-amino-2-(4-fluoroanilino)prop-1-enyl]-2-(ethylaminomethyl)benzaldehyde?
The canonical SMILES for 4-[(Z)-1-amino-2-(4-fluoroanilino)prop-1-enyl]-2-(ethylaminomethyl)benzaldehyde is CCNCc1cc(/C(N)=C(\C)Nc2ccc(F)cc2)ccc1C=O.
What is the InChIKey of 4-[(Z)-1-amino-2-(4-fluoroanilino)prop-1-enyl]-2-(ethylaminomethyl)benzaldehyde?
The InChIKey is VMASYZDRXOZMPT-UYRXBGFRSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-3-22-11-16-10-14(4-5-15(16)12-24)19(21)13(2)23-18-8-6-17(20)7-9-18/h4-10,12,22-23H,3,11,21H2,1-2H3/b19-13-.
What are the key properties of 4-[(Z)-1-amino-2-(4-fluoroanilino)prop-1-enyl]-2-(ethylaminomethyl)benzaldehyde?
4-[(Z)-1-amino-2-(4-fluoroanilino)prop-1-enyl]-2-(ethylaminomethyl)benzaldehyde has a molecular weight of 327.40 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-amino-2-(4-fluoroanilino)prop-1-enyl]-2-(ethylaminomethyl)benzaldehyde is sourced from PubChem (CID 143100015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).