N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide

C20H21FN4O3 — CID 30526206

IUPACN-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide
SMILESCN(C)[C@@H](CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1cccc(F)c1
InChIInChI=1S/C20H21FN4O3/c1-24(2)17(13-6-5-7-14(21)10-13)11-22-18(26)12-25-16-9-4-3-8-15(16)19(27)23-20(25)28/h3-10,17H,11-12H2,1-2H3,(H,22,26)(H,23,27,28)/t17-/m0/s1
InChIKeyARXLIDLZXRNKDB-KRWDZBQOSA-N
MW384.41 g/mol
LogP1.25
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide

N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 30526206) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide
PubChem CID30526206
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide
SMILESCN(C)[C@@H](CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1cccc(F)c1
InChIInChI=1S/C20H21FN4O3/c1-24(2)17(13-6-5-7-14(21)10-13)11-22-18(26)12-25-16-9-4-3-8-15(16)19(27)23-20(25)28/h3-10,17H,11-12H2,1-2H3,(H,22,26)(H,23,27,28)/t17-/m0/s1
InChIKeyARXLIDLZXRNKDB-KRWDZBQOSA-N
XLogP1.25
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 34457663
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 30856713
2-(2,4-dioxoquinazolin-1-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 17425530
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55370053
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 39956388
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 46419114
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 55454336
3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione
CID 42956974
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 46522490
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 30594655
3-(benzylcarbamoylamino)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]propanamide
CID 24640092
3-(benzylcarbamoylamino)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]propanamide
CID 30526143

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide (CID 30526206) is N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide is CN(C)[C@@H](CNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1cccc(F)c1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide?
The InChIKey is ARXLIDLZXRNKDB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-24(2)17(13-6-5-7-14(21)10-13)11-22-18(26)12-25-16-9-4-3-8-15(16)19(27)23-20(25)28/h3-10,17H,11-12H2,1-2H3,(H,22,26)(H,23,27,28)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide?
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 384.41 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 30526206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).