4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide

C15H16ClN3O2 — CID 121120714

IUPAC4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
SMILESCc1ncn(CCNC(=O)c2ccc(Cl)cc2)c(=O)c1C
InChIInChI=1S/C15H16ClN3O2/c1-10-11(2)18-9-19(15(10)21)8-7-17-14(20)12-3-5-13(16)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,17,20)
InChIKeyYHYPUTWQDUQLNP-UHFFFAOYSA-N
MW305.77 g/mol
LogP1.94
Rot. Bonds4

About 4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide

4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide (PubChem CID 121120714) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
PubChem CID121120714
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
SMILESCc1ncn(CCNC(=O)c2ccc(Cl)cc2)c(=O)c1C
InChIInChI=1S/C15H16ClN3O2/c1-10-11(2)18-9-19(15(10)21)8-7-17-14(20)12-3-5-13(16)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,17,20)
InChIKeyYHYPUTWQDUQLNP-UHFFFAOYSA-N
XLogP1.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121120830
1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121120963
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]naphthalene-2-carboxamide
CID 121120660
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 121120813
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 121120713
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121120778
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 121120627
4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121030
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 121120629
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2,3-dimethoxybenzamide
CID 121120641
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 121120854

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide (CID 121120714) is 4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide is Cc1ncn(CCNC(=O)c2ccc(Cl)cc2)c(=O)c1C.
What is the InChIKey of 4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
The InChIKey is YHYPUTWQDUQLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-10-11(2)18-9-19(15(10)21)8-7-17-14(20)12-3-5-13(16)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,17,20).
What are the key properties of 4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide?
4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide has a molecular weight of 305.77 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 121120714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).