N-butan-2-yl-N-[(2-chlorophenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

C17H20ClN3O3 — CID 50958927

IUPACN-butan-2-yl-N-[(2-chlorophenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCCC(C)N(Cc1ccccc1Cl)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C17H20ClN3O3/c1-3-12(2)21(10-13-6-4-5-7-14(13)18)16(23)11-20-9-8-15(22)19-17(20)24/h4-9,12H,3,10-11H2,1-2H3,(H,19,22,24)
InChIKeyXTTKFEJORGFZFB-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.02
Rot. Bonds6

About N-butan-2-yl-N-[(2-chlorophenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-butan-2-yl-N-[(2-chlorophenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 50958927) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-butan-2-yl-N-[(2-chlorophenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[(2-chlorophenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID50958927
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC NameN-butan-2-yl-N-[(2-chlorophenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCCC(C)N(Cc1ccccc1Cl)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C17H20ClN3O3/c1-3-12(2)21(10-13-6-4-5-7-14(13)18)16(23)11-20-9-8-15(22)19-17(20)24/h4-9,12H,3,10-11H2,1-2H3,(H,19,22,24)
InChIKeyXTTKFEJORGFZFB-UHFFFAOYSA-N
XLogP2.02
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 34500280
(2S)-N-[(2R)-butan-2-yl]-2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]propanamide
CID 7330620
1-[(2R)-butan-2-yl]-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-ethylurea
CID 7360584
2-[acetyl(butan-2-yl)amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
CID 4691678
2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid
CID 60828054
N-[(2S)-butan-2-yl]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclobutanecarboxamide
CID 7347853
1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62025394
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
(2R)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
CID 100676452
N-[(2R)-butan-2-yl]-3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 7259451
[2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063517
2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide
CID 132650062

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[(2-chlorophenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-N-[(2-chlorophenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 50958927) is N-butan-2-yl-N-[(2-chlorophenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-N-[(2-chlorophenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-N-[(2-chlorophenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is CCC(C)N(Cc1ccccc1Cl)C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of N-butan-2-yl-N-[(2-chlorophenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is XTTKFEJORGFZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-3-12(2)21(10-13-6-4-5-7-14(13)18)16(23)11-20-9-8-15(22)19-17(20)24/h4-9,12H,3,10-11H2,1-2H3,(H,19,22,24).
What are the key properties of N-butan-2-yl-N-[(2-chlorophenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-butan-2-yl-N-[(2-chlorophenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 349.82 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[(2-chlorophenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 50958927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).