1-(4-chloro-3-methylphenyl)-2-(2-chloropyrimidin-4-yl)ethanone

C13H10Cl2N2O — CID 58377221

IUPAC1-(4-chloro-3-methylphenyl)-2-(2-chloropyrimidin-4-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccnc(Cl)n2)ccc1Cl
InChIInChI=1S/C13H10Cl2N2O/c1-8-6-9(2-3-11(8)14)12(18)7-10-4-5-16-13(15)17-10/h2-6H,7H2,1H3
InChIKeyUMJYNPBAYZRZTO-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.52
Rot. Bonds3

About 1-(4-chloro-3-methylphenyl)-2-(2-chloropyrimidin-4-yl)ethanone

1-(4-chloro-3-methylphenyl)-2-(2-chloropyrimidin-4-yl)ethanone (PubChem CID 58377221) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2-(2-chloropyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2-(2-chloropyrimidin-4-yl)ethanone
PubChem CID58377221
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name1-(4-chloro-3-methylphenyl)-2-(2-chloropyrimidin-4-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccnc(Cl)n2)ccc1Cl
InChIInChI=1S/C13H10Cl2N2O/c1-8-6-9(2-3-11(8)14)12(18)7-10-4-5-16-13(15)17-10/h2-6H,7H2,1H3
InChIKeyUMJYNPBAYZRZTO-UHFFFAOYSA-N
XLogP3.52
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[2-(2-chloropyrimidin-4-yl)acetyl]-2-fluorophenyl]carbamic acid
CID 87576088
1-[3-(2-aminopropan-2-yl)phenyl]-2-(2-chloropyrimidin-4-yl)ethanone
CID 89199121
1-(4-chloro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062652
1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784448
2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone
CID 113397199
2-(2-chloropyrimidin-4-yl)-1-[3-[(2,6-difluorophenyl)sulfanylamino]-4-fluorophenyl]ethanone
CID 163769693
N-[3-[2-(2-chloropyrimidin-4-yl)acetyl]phenyl]-2,6-bis(fluoromethyl)benzamide
CID 123263006
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
1-(4-chloro-3-methylphenyl)pent-3-yn-1-one
CID 114964954
1-(4-chloro-3-methylphenyl)-4-methylpent-4-en-1-one
CID 115802948
3-azido-1-(4-chloro-3-methylphenyl)propan-1-one
CID 96000000
2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491660

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(2-chloropyrimidin-4-yl)ethanone?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(2-chloropyrimidin-4-yl)ethanone (CID 58377221) is 1-(4-chloro-3-methylphenyl)-2-(2-chloropyrimidin-4-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2-(2-chloropyrimidin-4-yl)ethanone?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2-(2-chloropyrimidin-4-yl)ethanone is Cc1cc(C(=O)Cc2ccnc(Cl)n2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2-(2-chloropyrimidin-4-yl)ethanone?
The InChIKey is UMJYNPBAYZRZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c1-8-6-9(2-3-11(8)14)12(18)7-10-4-5-16-13(15)17-10/h2-6H,7H2,1H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-2-(2-chloropyrimidin-4-yl)ethanone?
1-(4-chloro-3-methylphenyl)-2-(2-chloropyrimidin-4-yl)ethanone has a molecular weight of 281.14 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-2-(2-chloropyrimidin-4-yl)ethanone is sourced from PubChem (CID 58377221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).