2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide

C22H21ClN4O4 — CID 97352007

IUPAC2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(Cl)n(C)c1=O)c1ccccc1
InChIInChI=1S/C22H21ClN4O4/c1-14(15-8-4-3-5-9-15)24-21(30)16-10-6-7-11-17(16)25-19(28)13-27-20(29)12-18(23)26(2)22(27)31/h3-12,14H,13H2,1-2H3,(H,24,30)(H,25,28)/t14-/m0/s1
InChIKeyZKTMUZQBJIMIFI-AWEZNQCLSA-N
MW440.89 g/mol
LogP2.33
Rot. Bonds6

About 2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide

2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 97352007) has the molecular formula C22H21ClN4O4 and a molecular weight of 440.89 g/mol. Its IUPAC name is 2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID97352007
Molecular FormulaC22H21ClN4O4
Molecular Weight440.89 g/mol
Exact Mass440.13
IUPAC Name2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(Cl)n(C)c1=O)c1ccccc1
InChIInChI=1S/C22H21ClN4O4/c1-14(15-8-4-3-5-9-15)24-21(30)16-10-6-7-11-17(16)25-19(28)13-27-20(29)12-18(23)26(2)22(27)31/h3-12,14H,13H2,1-2H3,(H,24,30)(H,25,28)/t14-/m0/s1
InChIKeyZKTMUZQBJIMIFI-AWEZNQCLSA-N
XLogP2.33
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.89
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide with MolForge

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Related Compounds

2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
CID 4157890
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 41259474
2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 41259473
2-[[2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 124823995
2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4786938
2-[3-(2,6-dichlorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 100600751
2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 51170473
2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 51486000
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 132663328
2-[[2-(2-methylphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 16557303
N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515353

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide (CID 97352007) is 2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(Cl)n(C)c1=O)c1ccccc1.
What is the InChIKey of 2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is ZKTMUZQBJIMIFI-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H21ClN4O4/c1-14(15-8-4-3-5-9-15)24-21(30)16-10-6-7-11-17(16)25-19(28)13-27-20(29)12-18(23)26(2)22(27)31/h3-12,14H,13H2,1-2H3,(H,24,30)(H,25,28)/t14-/m0/s1.
What are the key properties of 2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 440.89 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-3-methyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 97352007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).