N-(6-chloropyrimidin-4-yl)-2-(3,4-difluorophenyl)acetamide

C12H8ClF2N3O — CID 114050076

IUPACN-(6-chloropyrimidin-4-yl)-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1cc(Cl)ncn1
InChIInChI=1S/C12H8ClF2N3O/c13-10-5-11(17-6-16-10)18-12(19)4-7-1-2-8(14)9(15)3-7/h1-3,5-6H,4H2,(H,16,17,18,19)
InChIKeyHUKVDVFIXOTBSS-UHFFFAOYSA-N
MW283.67 g/mol
LogP2.59
Rot. Bonds3

About N-(6-chloropyrimidin-4-yl)-2-(3,4-difluorophenyl)acetamide

N-(6-chloropyrimidin-4-yl)-2-(3,4-difluorophenyl)acetamide (PubChem CID 114050076) has the molecular formula C12H8ClF2N3O and a molecular weight of 283.67 g/mol. Its IUPAC name is N-(6-chloropyrimidin-4-yl)-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(6-chloropyrimidin-4-yl)-2-(3,4-difluorophenyl)acetamide
PubChem CID114050076
Molecular FormulaC12H8ClF2N3O
Molecular Weight283.67 g/mol
Exact Mass283.03
IUPAC NameN-(6-chloropyrimidin-4-yl)-2-(3,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1cc(Cl)ncn1
InChIInChI=1S/C12H8ClF2N3O/c13-10-5-11(17-6-16-10)18-12(19)4-7-1-2-8(14)9(15)3-7/h1-3,5-6H,4H2,(H,16,17,18,19)
InChIKeyHUKVDVFIXOTBSS-UHFFFAOYSA-N
XLogP2.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 112698162
N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine
CID 160592150
2-(7-chloroimidazo[1,5-a]pyridin-1-yl)-N-(6-chloropyrimidin-4-yl)acetamide
CID 165130993
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 62533114
N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114310892
2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544473
3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104739842
N-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114304849
2-(3,4-difluorophenyl)-N-(thiadiazol-5-yl)acetamide
CID 99833270
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide
CID 114050036
2-(3,4-difluorophenyl)-N-[4-(methylaminomethyl)phenyl]acetamide
CID 106909849

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrimidin-4-yl)-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-(6-chloropyrimidin-4-yl)-2-(3,4-difluorophenyl)acetamide (CID 114050076) is N-(6-chloropyrimidin-4-yl)-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-(6-chloropyrimidin-4-yl)-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-(6-chloropyrimidin-4-yl)-2-(3,4-difluorophenyl)acetamide is O=C(Cc1ccc(F)c(F)c1)Nc1cc(Cl)ncn1.
What is the InChIKey of N-(6-chloropyrimidin-4-yl)-2-(3,4-difluorophenyl)acetamide?
The InChIKey is HUKVDVFIXOTBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N3O/c13-10-5-11(17-6-16-10)18-12(19)4-7-1-2-8(14)9(15)3-7/h1-3,5-6H,4H2,(H,16,17,18,19).
What are the key properties of N-(6-chloropyrimidin-4-yl)-2-(3,4-difluorophenyl)acetamide?
N-(6-chloropyrimidin-4-yl)-2-(3,4-difluorophenyl)acetamide has a molecular weight of 283.67 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrimidin-4-yl)-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 114050076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).