N-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane

C15H18ClN3O — CID 145490179

IUPACN-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane
SMILESCC.CC(=O)Nc1ccc(-c2ccnc(Cl)n2)c(C)c1
InChIInChI=1S/C13H12ClN3O.C2H6/c1-8-7-10(16-9(2)18)3-4-11(8)12-5-6-15-13(14)17-12;1-2/h3-7H,1-2H3,(H,16,18);1-2H3
InChIKeyOUANZFAKODEGOG-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.09
Rot. Bonds2

About N-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane

N-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane (PubChem CID 145490179) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane.

Molecular Properties

Compound NameN-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane
PubChem CID145490179
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane
SMILESCC.CC(=O)Nc1ccc(-c2ccnc(Cl)n2)c(C)c1
InChIInChI=1S/C13H12ClN3O.C2H6/c1-8-7-10(16-9(2)18)3-4-11(8)12-5-6-15-13(14)17-12;1-2/h3-7H,1-2H3,(H,16,18);1-2H3
InChIKeyOUANZFAKODEGOG-UHFFFAOYSA-N
XLogP4.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 169024706
N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide
CID 168929908
N-[3-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenyl]acetamide
CID 10021484
7-acetamido-2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid
CID 18073634
N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide
CID 59511382
2-chloro-4-(2,4-dichlorophenyl)pyrimidine
CID 11086481
N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381
N-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride
CID 160584950
N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 47255119
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
CID 19169546
5-[(2-chloropyrimidin-4-yl)amino]-2-methylbenzoic acid
CID 142717352
1-N'-[4-[3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl]-3-methylphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 171466105

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane?
The IUPAC name of N-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane (CID 145490179) is N-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane.
What is the SMILES notation for N-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane?
The canonical SMILES for N-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane is CC.CC(=O)Nc1ccc(-c2ccnc(Cl)n2)c(C)c1.
What is the InChIKey of N-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane?
The InChIKey is OUANZFAKODEGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O.C2H6/c1-8-7-10(16-9(2)18)3-4-11(8)12-5-6-15-13(14)17-12;1-2/h3-7H,1-2H3,(H,16,18);1-2H3.
What are the key properties of N-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane?
N-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane has a molecular weight of 291.78 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane is sourced from PubChem (CID 145490179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).