N-(3-chloro-4-pyrimidin-2-yloxyphenyl)acetamide

C12H10ClN3O2 — CID 3700352

IUPACN-(3-chloro-4-pyrimidin-2-yloxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(Oc2ncccn2)c(Cl)c1
InChIInChI=1S/C12H10ClN3O2/c1-8(17)16-9-3-4-11(10(13)7-9)18-12-14-5-2-6-15-12/h2-7H,1H3,(H,16,17)
InChIKeyWVCNKTIXENOSPR-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.88
Rot. Bonds3

About N-(3-chloro-4-pyrimidin-2-yloxyphenyl)acetamide

N-(3-chloro-4-pyrimidin-2-yloxyphenyl)acetamide (PubChem CID 3700352) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is N-(3-chloro-4-pyrimidin-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyrimidin-2-yloxyphenyl)acetamide
PubChem CID3700352
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC NameN-(3-chloro-4-pyrimidin-2-yloxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(Oc2ncccn2)c(Cl)c1
InChIInChI=1S/C12H10ClN3O2/c1-8(17)16-9-3-4-11(10(13)7-9)18-12-14-5-2-6-15-12/h2-7H,1H3,(H,16,17)
InChIKeyWVCNKTIXENOSPR-UHFFFAOYSA-N
XLogP2.88
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Pyrimidin-2-yloxy)aniline
CID 1484610
N-[4-(pyrimidin-2-yloxy)phenyl]acetamide
CID 1487531
N-[3-[[5-chloro-2-[3-chloro-4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 145990342
N-[3-[[5-chloro-2-[3-chloro-4-[3-(4-ethylpiperazin-1-yl)propoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 145994233
N-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5055605
2-N-[4-(2-chlorophenoxy)phenyl]pyrimidine-2,4-diamine
CID 70681040
8-(4-Aminophenyl)-2-(3-chloro-4-methoxyanilino)pteridin-7-one
CID 145360620
3-Chloro-4-(pyrimidin-2-yloxy)aniline
CID 2763770
N-[3-chloro-4-(2-pyrimidinyloxy)phenyl]-4-fluorobenzenesulfonamide
CID 3846671
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-4-ethoxy-pyrimidin-2-amine
CID 16074554
2-Pyrimidinamine, N-[3-[(2E)-2-butenyloxy]-4-chlorophenyl]-4-methoxy-
CID 16074562
Methyl 4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-yloxy)-3-chlorophenylcarbamate
CID 53318626

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyrimidin-2-yloxyphenyl)acetamide?
The IUPAC name of N-(3-chloro-4-pyrimidin-2-yloxyphenyl)acetamide (CID 3700352) is N-(3-chloro-4-pyrimidin-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-(3-chloro-4-pyrimidin-2-yloxyphenyl)acetamide?
The canonical SMILES for N-(3-chloro-4-pyrimidin-2-yloxyphenyl)acetamide is CC(=O)Nc1ccc(Oc2ncccn2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-pyrimidin-2-yloxyphenyl)acetamide?
The InChIKey is WVCNKTIXENOSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-8(17)16-9-3-4-11(10(13)7-9)18-12-14-5-2-6-15-12/h2-7H,1H3,(H,16,17).
What are the key properties of N-(3-chloro-4-pyrimidin-2-yloxyphenyl)acetamide?
N-(3-chloro-4-pyrimidin-2-yloxyphenyl)acetamide has a molecular weight of 263.68 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyrimidin-2-yloxyphenyl)acetamide is sourced from PubChem (CID 3700352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).