N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide

C19H18ClN3O3 — CID 122177910

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
SMILESO=C1CCN(c2ccccc2C(=O)NCCc2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C19H18ClN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26)
InChIKeyDITDXEHAIUQRTK-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.76
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide

N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide (PubChem CID 122177910) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
PubChem CID122177910
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide
SMILESO=C1CCN(c2ccccc2C(=O)NCCc2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C19H18ClN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26)
InChIKeyDITDXEHAIUQRTK-UHFFFAOYSA-N
XLogP2.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
CID 78766
2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
Clanfenur
CID 68684
5-Fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-YL)butyl]quinazoline-2,4(1H,3H)-dione
CID 448890
2-(3-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 3117363
Pencycuron-ketone
CID 139595074
Cloperidone
CID 10675
Pelanserin
CID 65435
2-({3-[(3,5-Dichlorobenzyl)amino]propyl}amino)quinolin-4(1h)-One
CID 18353708
4-Chloro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 21428850
2-Phenyl-2,3-dihydroquinazolin-4(1h)-one
CID 270800

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide (CID 122177910) is N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide is O=C1CCN(c2ccccc2C(=O)NCCc2ccc(Cl)cc2)C(=O)N1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide?
The InChIKey is DITDXEHAIUQRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-14-7-5-13(6-8-14)9-11-21-18(25)15-3-1-2-4-16(15)23-12-10-17(24)22-19(23)26/h1-8H,9-12H2,(H,21,25)(H,22,24,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide?
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide has a molecular weight of 371.82 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)benzamide is sourced from PubChem (CID 122177910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).