N-[(2,4-difluorophenyl)methyl]formamide;ethylcyclohexane;6-fluoro-1H-quinazoline-2,4-dione

C24H28F3N3O3 — CID 177352148

IUPACN-[(2,4-difluorophenyl)methyl]formamide;ethylcyclohexane;6-fluoro-1H-quinazoline-2,4-dione
SMILESCCC1CCCCC1.O=CNCc1ccc(F)cc1F.O=c1[nH]c(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C8H7F2NO.C8H5FN2O2.C8H16/c9-7-2-1-6(4-11-5-12)8(10)3-7;9-4-1-2-6-5(3-4)7(12)11-8(13)10-6;1-2-8-6-4-3-5-7-8/h1-3,5H,4H2,(H,11,12);1-3H,(H2,10,11,12,13);8H,2-7H2,1H3
InChIKeyVSUJUSHFNIXIFN-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.54
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]formamide;ethylcyclohexane;6-fluoro-1H-quinazoline-2,4-dione

N-[(2,4-difluorophenyl)methyl]formamide;ethylcyclohexane;6-fluoro-1H-quinazoline-2,4-dione (PubChem CID 177352148) has the molecular formula C24H28F3N3O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]formamide;ethylcyclohexane;6-fluoro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]formamide;ethylcyclohexane;6-fluoro-1H-quinazoline-2,4-dione
PubChem CID177352148
Molecular FormulaC24H28F3N3O3
Molecular Weight463.50 g/mol
Exact Mass463.21
IUPAC NameN-[(2,4-difluorophenyl)methyl]formamide;ethylcyclohexane;6-fluoro-1H-quinazoline-2,4-dione
SMILESCCC1CCCCC1.O=CNCc1ccc(F)cc1F.O=c1[nH]c(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C8H7F2NO.C8H5FN2O2.C8H16/c9-7-2-1-6(4-11-5-12)8(10)3-7;9-4-1-2-6-5(3-4)7(12)11-8(13)10-6;1-2-8-6-4-3-5-7-8/h1-3,5H,4H2,(H,11,12);1-3H,(H2,10,11,12,13);8H,2-7H2,1H3
InChIKeyVSUJUSHFNIXIFN-UHFFFAOYSA-N
XLogP4.54
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]formamide;ethylcyclohexane;6-fluoro-1H-quinazoline-2,4-dione?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]formamide;ethylcyclohexane;6-fluoro-1H-quinazoline-2,4-dione (CID 177352148) is N-[(2,4-difluorophenyl)methyl]formamide;ethylcyclohexane;6-fluoro-1H-quinazoline-2,4-dione.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]formamide;ethylcyclohexane;6-fluoro-1H-quinazoline-2,4-dione?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]formamide;ethylcyclohexane;6-fluoro-1H-quinazoline-2,4-dione is CCC1CCCCC1.O=CNCc1ccc(F)cc1F.O=c1[nH]c(=O)c2cc(F)ccc2[nH]1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]formamide;ethylcyclohexane;6-fluoro-1H-quinazoline-2,4-dione?
The InChIKey is VSUJUSHFNIXIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO.C8H5FN2O2.C8H16/c9-7-2-1-6(4-11-5-12)8(10)3-7;9-4-1-2-6-5(3-4)7(12)11-8(13)10-6;1-2-8-6-4-3-5-7-8/h1-3,5H,4H2,(H,11,12);1-3H,(H2,10,11,12,13);8H,2-7H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]formamide;ethylcyclohexane;6-fluoro-1H-quinazoline-2,4-dione?
N-[(2,4-difluorophenyl)methyl]formamide;ethylcyclohexane;6-fluoro-1H-quinazoline-2,4-dione has a molecular weight of 463.50 g/mol, XLogP of 4.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]formamide;ethylcyclohexane;6-fluoro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 177352148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).