N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide

C22H22Cl2N4O3 — CID 26186362

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cccc(Cl)c2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C22H22Cl2N4O3/c1-2-3-12-27-19(25)18(20(29)26-22(27)31)28(13-14-8-5-4-6-9-14)21(30)15-10-7-11-16(23)17(15)24/h4-11H,2-3,12-13,25H2,1H3,(H,26,29,31)
InChIKeyOCVNCEWNOMOVHV-UHFFFAOYSA-N
MW461.35 g/mol
LogP4.07
Rot. Bonds7

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide (PubChem CID 26186362) has the molecular formula C22H22Cl2N4O3 and a molecular weight of 461.35 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide
PubChem CID26186362
Molecular FormulaC22H22Cl2N4O3
Molecular Weight461.35 g/mol
Exact Mass460.11
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cccc(Cl)c2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C22H22Cl2N4O3/c1-2-3-12-27-19(25)18(20(29)26-22(27)31)28(13-14-8-5-4-6-9-14)21(30)15-10-7-11-16(23)17(15)24/h4-11H,2-3,12-13,25H2,1H3,(H,26,29,31)
InChIKeyOCVNCEWNOMOVHV-UHFFFAOYSA-N
XLogP4.07
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.35
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylfuran-2-carboxamide
CID 18084185
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclobutanecarboxamide
CID 8914359
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylthiophene-2-carboxamide
CID 26186335
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-bromofuran-2-carboxamide
CID 26186357
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylbut-2-enamide
CID 30659785
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide
CID 55883038
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-ethylprop-2-enamide
CID 30252338
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 26206430
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-3-propan-2-ylthiourea
CID 9093761
2-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylcarbamothioyl]amino]ethyl-dimethylazanium
CID 9093764
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27134282
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-chlorophenyl)sulfanylpropanamide
CID 24555130

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide (CID 26186362) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide is CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cccc(Cl)c2Cl)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide?
The InChIKey is OCVNCEWNOMOVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O3/c1-2-3-12-27-19(25)18(20(29)26-22(27)31)28(13-14-8-5-4-6-9-14)21(30)15-10-7-11-16(23)17(15)24/h4-11H,2-3,12-13,25H2,1H3,(H,26,29,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide has a molecular weight of 461.35 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide is sourced from PubChem (CID 26186362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).