N-[(Z)-2-amino-3-[N-amino-3,5-difluoro-4-[3-(hydroxymethyl)-4-oxoimidazolidin-1-yl]anilino]prop-2-enyl]acetamide

C15H20F2N6O3 — CID 143030756

IUPACN-[(Z)-2-amino-3-[N-amino-3,5-difluoro-4-[3-(hydroxymethyl)-4-oxoimidazolidin-1-yl]anilino]prop-2-enyl]acetamide
SMILESCC(=O)NC/C(N)=C/N(N)c1cc(F)c(N2CC(=O)N(CO)C2)c(F)c1
InChIInChI=1S/C15H20F2N6O3/c1-9(25)20-4-10(18)5-23(19)11-2-12(16)15(13(17)3-11)21-6-14(26)22(7-21)8-24/h2-3,5,24H,4,6-8,18-19H2,1H3,(H,20,25)/b10-5-
InChIKeyAENULIHACPKAMU-YHYXMXQVSA-N
MW370.36 g/mol
LogP-0.86
Rot. Bonds6

About N-[(Z)-2-amino-3-[N-amino-3,5-difluoro-4-[3-(hydroxymethyl)-4-oxoimidazolidin-1-yl]anilino]prop-2-enyl]acetamide

N-[(Z)-2-amino-3-[N-amino-3,5-difluoro-4-[3-(hydroxymethyl)-4-oxoimidazolidin-1-yl]anilino]prop-2-enyl]acetamide (PubChem CID 143030756) has the molecular formula C15H20F2N6O3 and a molecular weight of 370.36 g/mol. Its IUPAC name is N-[(Z)-2-amino-3-[N-amino-3,5-difluoro-4-[3-(hydroxymethyl)-4-oxoimidazolidin-1-yl]anilino]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-2-amino-3-[N-amino-3,5-difluoro-4-[3-(hydroxymethyl)-4-oxoimidazolidin-1-yl]anilino]prop-2-enyl]acetamide
PubChem CID143030756
Molecular FormulaC15H20F2N6O3
Molecular Weight370.36 g/mol
Exact Mass370.16
IUPAC NameN-[(Z)-2-amino-3-[N-amino-3,5-difluoro-4-[3-(hydroxymethyl)-4-oxoimidazolidin-1-yl]anilino]prop-2-enyl]acetamide
SMILESCC(=O)NC/C(N)=C/N(N)c1cc(F)c(N2CC(=O)N(CO)C2)c(F)c1
InChIInChI=1S/C15H20F2N6O3/c1-9(25)20-4-10(18)5-23(19)11-2-12(16)15(13(17)3-11)21-6-14(26)22(7-21)8-24/h2-3,5,24H,4,6-8,18-19H2,1H3,(H,20,25)/b10-5-
InChIKeyAENULIHACPKAMU-YHYXMXQVSA-N
XLogP-0.86
TPSA128.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-2-amino-3-[N-amino-3,5-difluoro-4-[3-(methoxymethyl)-4-oxoimidazolidin-1-yl]anilino]prop-2-enyl]methanethioamide;methoxymethane
CID 143030687
N-[(Z)-2-amino-3-[N-amino-3-fluoro-4-[4-(hydroxymethyl)-3-oxopiperazin-1-yl]anilino]prop-2-enyl]methanethioamide;methoxymethane
CID 143030727
O-methyl N-[(Z)-2-amino-3-[N-amino-4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,5-difluoroanilino]prop-2-enyl]carbamothioate
CID 143096068
methanol;O-methyl N-[(Z)-2-amino-3-[N-amino-3,5-difluoro-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]anilino]prop-2-enyl]carbamothioate
CID 143096407
tert-butyl 4-[4-[amino-[(Z)-2-amino-3-hydroxyprop-1-enyl]amino]-2-fluorophenyl]-2-oxopiperazine-1-carboxylate
CID 143030717
N-[(Z)-2-amino-3-(3,5-difluoro-4-pyrrol-1-ylanilino)prop-2-enyl]acetamide
CID 142967054
N-[[(5S)-3-[4-(4-aminopiperidin-1-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68943046
N-[[1-[4-[4-[(2R)-2,3-dihydroxypropanoyl]piperazin-1-yl]-3,5-difluorophenyl]triazol-4-yl]methyl]acetamide
CID 143096388
(Z)-1-(N-amino-2,4,5-trifluoroanilino)but-1-en-2-amine
CID 178126361
[3-[2-fluoro-4-[4-[(methoxycarbothioylamino)methyl]triazol-1-yl]phenyl]-5-oxoimidazolidin-1-yl]methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 11443342
N-[[1-[3,5-difluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]triazol-4-yl]methyl]acetamide
CID 10215714
1-(2,6-difluoro-4-methylphenyl)-3-(oxan-2-yloxymethyl)imidazolidin-4-one
CID 58781028

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-amino-3-[N-amino-3,5-difluoro-4-[3-(hydroxymethyl)-4-oxoimidazolidin-1-yl]anilino]prop-2-enyl]acetamide?
The IUPAC name of N-[(Z)-2-amino-3-[N-amino-3,5-difluoro-4-[3-(hydroxymethyl)-4-oxoimidazolidin-1-yl]anilino]prop-2-enyl]acetamide (CID 143030756) is N-[(Z)-2-amino-3-[N-amino-3,5-difluoro-4-[3-(hydroxymethyl)-4-oxoimidazolidin-1-yl]anilino]prop-2-enyl]acetamide.
What is the SMILES notation for N-[(Z)-2-amino-3-[N-amino-3,5-difluoro-4-[3-(hydroxymethyl)-4-oxoimidazolidin-1-yl]anilino]prop-2-enyl]acetamide?
The canonical SMILES for N-[(Z)-2-amino-3-[N-amino-3,5-difluoro-4-[3-(hydroxymethyl)-4-oxoimidazolidin-1-yl]anilino]prop-2-enyl]acetamide is CC(=O)NC/C(N)=C/N(N)c1cc(F)c(N2CC(=O)N(CO)C2)c(F)c1.
What is the InChIKey of N-[(Z)-2-amino-3-[N-amino-3,5-difluoro-4-[3-(hydroxymethyl)-4-oxoimidazolidin-1-yl]anilino]prop-2-enyl]acetamide?
The InChIKey is AENULIHACPKAMU-YHYXMXQVSA-N. The full InChI is InChI=1S/C15H20F2N6O3/c1-9(25)20-4-10(18)5-23(19)11-2-12(16)15(13(17)3-11)21-6-14(26)22(7-21)8-24/h2-3,5,24H,4,6-8,18-19H2,1H3,(H,20,25)/b10-5-.
What are the key properties of N-[(Z)-2-amino-3-[N-amino-3,5-difluoro-4-[3-(hydroxymethyl)-4-oxoimidazolidin-1-yl]anilino]prop-2-enyl]acetamide?
N-[(Z)-2-amino-3-[N-amino-3,5-difluoro-4-[3-(hydroxymethyl)-4-oxoimidazolidin-1-yl]anilino]prop-2-enyl]acetamide has a molecular weight of 370.36 g/mol, XLogP of -0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-amino-3-[N-amino-3,5-difluoro-4-[3-(hydroxymethyl)-4-oxoimidazolidin-1-yl]anilino]prop-2-enyl]acetamide is sourced from PubChem (CID 143030756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).