N-[2,6-bis(4-chlorophenyl)pyrimidin-4-yl]acetamide

C18H13Cl2N3O — CID 50940958

IUPACN-[2,6-bis(4-chlorophenyl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H13Cl2N3O/c1-11(24)21-17-10-16(12-2-6-14(19)7-3-12)22-18(23-17)13-4-8-15(20)9-5-13/h2-10H,1H3,(H,21,22,23,24)
InChIKeyQMTMQDHWDFOLDR-UHFFFAOYSA-N
MW358.23 g/mol
LogP5.08
Rot. Bonds3

About N-[2,6-bis(4-chlorophenyl)pyrimidin-4-yl]acetamide

N-[2,6-bis(4-chlorophenyl)pyrimidin-4-yl]acetamide (PubChem CID 50940958) has the molecular formula C18H13Cl2N3O and a molecular weight of 358.23 g/mol. Its IUPAC name is N-[2,6-bis(4-chlorophenyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2,6-bis(4-chlorophenyl)pyrimidin-4-yl]acetamide
PubChem CID50940958
Molecular FormulaC18H13Cl2N3O
Molecular Weight358.23 g/mol
Exact Mass357.04
IUPAC NameN-[2,6-bis(4-chlorophenyl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H13Cl2N3O/c1-11(24)21-17-10-16(12-2-6-14(19)7-3-12)22-18(23-17)13-4-8-15(20)9-5-13/h2-10H,1H3,(H,21,22,23,24)
InChIKeyQMTMQDHWDFOLDR-UHFFFAOYSA-N
XLogP5.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.23
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Luf-5735
CID 11392960
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Chloro-2,6-diphenylpyrimidine
CID 582041
N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
N-(4-chlorophenyl)-N'-[3-(2-methylpyrimidin-4-yl)phenyl]urea
CID 2819603
5-(Aminomethyl)-2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidin-4-amine
CID 10309373
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
5-{4-[(4-Chlorobenzyl)amino]phenyl}-6-ethylpyrimidine-2,4-diamine
CID 11221946
N-(4,6-diphenylpyrimidin-2-yl)propionamide
CID 11278089
N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide
CID 11290921
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
CID 11313151

Frequently Asked Questions

What is the IUPAC name of N-[2,6-bis(4-chlorophenyl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2,6-bis(4-chlorophenyl)pyrimidin-4-yl]acetamide (CID 50940958) is N-[2,6-bis(4-chlorophenyl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2,6-bis(4-chlorophenyl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2,6-bis(4-chlorophenyl)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2,6-bis(4-chlorophenyl)pyrimidin-4-yl]acetamide?
The InChIKey is QMTMQDHWDFOLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O/c1-11(24)21-17-10-16(12-2-6-14(19)7-3-12)22-18(23-17)13-4-8-15(20)9-5-13/h2-10H,1H3,(H,21,22,23,24).
What are the key properties of N-[2,6-bis(4-chlorophenyl)pyrimidin-4-yl]acetamide?
N-[2,6-bis(4-chlorophenyl)pyrimidin-4-yl]acetamide has a molecular weight of 358.23 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis(4-chlorophenyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 50940958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).