N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,6-dichlorobenzamide

C25H19Cl2N5O2 — CID 24877325

IUPACN-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,6-dichlorobenzamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4c(Cl)cccc4Cl)c3)n2)cc1
InChIInChI=1S/C25H19Cl2N5O2/c1-15(33)29-17-10-8-16(9-11-17)22-12-13-28-25(32-22)31-19-5-2-4-18(14-19)30-24(34)23-20(26)6-3-7-21(23)27/h2-14H,1H3,(H,29,33)(H,30,34)(H,28,31,32)
InChIKeyYJLSAFWTHWLPPK-UHFFFAOYSA-N
MW492.37 g/mol
LogP6.40
Rot. Bonds6

About N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,6-dichlorobenzamide

N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,6-dichlorobenzamide (PubChem CID 24877325) has the molecular formula C25H19Cl2N5O2 and a molecular weight of 492.37 g/mol. Its IUPAC name is N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,6-dichlorobenzamide
PubChem CID24877325
Molecular FormulaC25H19Cl2N5O2
Molecular Weight492.37 g/mol
Exact Mass491.09
IUPAC NameN-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,6-dichlorobenzamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4c(Cl)cccc4Cl)c3)n2)cc1
InChIInChI=1S/C25H19Cl2N5O2/c1-15(33)29-17-10-8-16(9-11-17)22-12-13-28-25(32-22)31-19-5-2-4-18(14-19)30-24(34)23-20(26)6-3-7-21(23)27/h2-14H,1H3,(H,29,33)(H,30,34)(H,28,31,32)
InChIKeyYJLSAFWTHWLPPK-UHFFFAOYSA-N
XLogP6.40
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.37
LogP ≤ 56.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,6-dichlorobenzamide with MolForge

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Related Compounds

PD-180970
CID 5311104
2,4-Bisanilinopyrimidine, 10
CID 44139710
6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327885
Bisanilinopyrimidine, 6p
CID 70702144
2,6-Dichloro-N-{2-[(Cyclopropylcarbonyl)amino]pyridin-4-Yl}benzamide
CID 49839561
Cgp-53716
CID 9864718
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 34
CID 5327881
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 39
CID 5327886
6-(2,6-Dichlorophenyl)-8-methyl-2-(pyridin-3-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327887
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 42
CID 5327889
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 43
CID 5327890
2-[(4-chlorophenyl)amino]-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327891

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,6-dichlorobenzamide?
The IUPAC name of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,6-dichlorobenzamide (CID 24877325) is N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,6-dichlorobenzamide is CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4c(Cl)cccc4Cl)c3)n2)cc1.
What is the InChIKey of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,6-dichlorobenzamide?
The InChIKey is YJLSAFWTHWLPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N5O2/c1-15(33)29-17-10-8-16(9-11-17)22-12-13-28-25(32-22)31-19-5-2-4-18(14-19)30-24(34)23-20(26)6-3-7-21(23)27/h2-14H,1H3,(H,29,33)(H,30,34)(H,28,31,32).
What are the key properties of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,6-dichlorobenzamide?
N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,6-dichlorobenzamide has a molecular weight of 492.37 g/mol, XLogP of 6.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2,6-dichlorobenzamide is sourced from PubChem (CID 24877325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).