(E)-2,3-diamino-3-[2-amino-4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-propylprop-2-enamide

C19H22F2N4O — CID 143493430

IUPAC(E)-2,3-diamino-3-[2-amino-4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(N)=C(\N)c1ccc(F)c(-c2cc(F)ccc2C)c1N
InChIInChI=1S/C19H22F2N4O/c1-3-8-25-19(26)18(24)17(23)12-6-7-14(21)15(16(12)22)13-9-11(20)5-4-10(13)2/h4-7,9H,3,8,22-24H2,1-2H3,(H,25,26)/b18-17+
InChIKeyMHUAEZKLODIXBP-ISLYRVAYSA-N
MW360.41 g/mol
LogP2.63
Rot. Bonds5

About (E)-2,3-diamino-3-[2-amino-4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-propylprop-2-enamide

(E)-2,3-diamino-3-[2-amino-4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-propylprop-2-enamide (PubChem CID 143493430) has the molecular formula C19H22F2N4O and a molecular weight of 360.41 g/mol. Its IUPAC name is (E)-2,3-diamino-3-[2-amino-4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-2,3-diamino-3-[2-amino-4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-propylprop-2-enamide
PubChem CID143493430
Molecular FormulaC19H22F2N4O
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name(E)-2,3-diamino-3-[2-amino-4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(N)=C(\N)c1ccc(F)c(-c2cc(F)ccc2C)c1N
InChIInChI=1S/C19H22F2N4O/c1-3-8-25-19(26)18(24)17(23)12-6-7-14(21)15(16(12)22)13-9-11(20)5-4-10(13)2/h4-7,9H,3,8,22-24H2,1-2H3,(H,25,26)/b18-17+
InChIKeyMHUAEZKLODIXBP-ISLYRVAYSA-N
XLogP2.63
TPSA107.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2,3-diamino-3-[2-amino-3-(2,3-dimethylphenyl)-4-fluorophenyl]-N-propylprop-2-enamide
CID 143493499
(E)-2,3-diamino-3-[2-amino-3-(3,5-dichlorophenyl)-4-fluorophenyl]-N-propylprop-2-enamide
CID 143493478
(E)-2,3-diamino-3-[2-amino-3-(2-fluoro-5-methylphenyl)phenyl]-N-propylprop-2-enamide
CID 143493515
(E)-2,3-diamino-3-[2-amino-3-(5-chloro-2-hydroxyphenyl)phenyl]-N-propylprop-2-enamide
CID 143493520
1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide
CID 58899646
(E)-2,3-diamino-3-[2-amino-3-(3-methoxyphenyl)phenyl]-N-propylprop-2-enamide
CID 143493624
(E)-2,3-diamino-3-[2-amino-3-(5-chloro-6-methoxy-3-pyridinyl)phenyl]-N-propylprop-2-enamide
CID 143493545
(E)-3-amino-3-[2-amino-3-(4-fluorophenyl)phenyl]-2-(methylideneamino)-N-propylprop-2-enamide
CID 89354995
4-amino-7-fluoro-8-(4-fluoro-2-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 53240496
(E)-2,3-diamino-3-[2-amino-3-(4-methyl-3-pyridinyl)phenyl]-N-ethylprop-2-enamide
CID 143493453
4-fluoro-2-(3-fluoro-4-methylphenyl)benzamide
CID 69129277
2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733040

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-diamino-3-[2-amino-4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-propylprop-2-enamide?
The IUPAC name of (E)-2,3-diamino-3-[2-amino-4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-propylprop-2-enamide (CID 143493430) is (E)-2,3-diamino-3-[2-amino-4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-propylprop-2-enamide.
What is the SMILES notation for (E)-2,3-diamino-3-[2-amino-4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-propylprop-2-enamide?
The canonical SMILES for (E)-2,3-diamino-3-[2-amino-4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-propylprop-2-enamide is CCCNC(=O)/C(N)=C(\N)c1ccc(F)c(-c2cc(F)ccc2C)c1N.
What is the InChIKey of (E)-2,3-diamino-3-[2-amino-4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-propylprop-2-enamide?
The InChIKey is MHUAEZKLODIXBP-ISLYRVAYSA-N. The full InChI is InChI=1S/C19H22F2N4O/c1-3-8-25-19(26)18(24)17(23)12-6-7-14(21)15(16(12)22)13-9-11(20)5-4-10(13)2/h4-7,9H,3,8,22-24H2,1-2H3,(H,25,26)/b18-17+.
What are the key properties of (E)-2,3-diamino-3-[2-amino-4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-propylprop-2-enamide?
(E)-2,3-diamino-3-[2-amino-4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-propylprop-2-enamide has a molecular weight of 360.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-diamino-3-[2-amino-4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-propylprop-2-enamide is sourced from PubChem (CID 143493430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).