N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide

C24H19BrN4O — CID 108808430

IUPACN-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
SMILESCc1nc(Nc2cccc(C(=O)Nc3ccccc3Br)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H19BrN4O/c1-16-26-22(17-8-3-2-4-9-17)15-23(27-16)28-19-11-7-10-18(14-19)24(30)29-21-13-6-5-12-20(21)25/h2-15H,1H3,(H,29,30)(H,26,27,28)
InChIKeyBDHPIORZULDSQR-UHFFFAOYSA-N
MW459.35 g/mol
LogP6.21
Rot. Bonds5

About N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide

N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide (PubChem CID 108808430) has the molecular formula C24H19BrN4O and a molecular weight of 459.35 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
PubChem CID108808430
Molecular FormulaC24H19BrN4O
Molecular Weight459.35 g/mol
Exact Mass458.07
IUPAC NameN-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
SMILESCc1nc(Nc2cccc(C(=O)Nc3ccccc3Br)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H19BrN4O/c1-16-26-22(17-8-3-2-4-9-17)15-23(27-16)28-19-11-7-10-18(14-19)24(30)29-21-13-6-5-12-20(21)25/h2-15H,1H3,(H,29,30)(H,26,27,28)
InChIKeyBDHPIORZULDSQR-UHFFFAOYSA-N
XLogP6.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.35
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide
CID 108797255
N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808442
N-(4-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797118
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide
CID 108808501
N-(2,4-difluorophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808397
N-(4-methoxyphenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797139
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797307
N-(5-acetyl-2-chlorophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808483
N-(2-acetamidoethyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808500
4-[[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoyl]amino]butanoic acid
CID 108797173
N-(2-methoxy-4-nitrophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797191
N-(1-adamantyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797289

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
The IUPAC name of N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide (CID 108808430) is N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide is Cc1nc(Nc2cccc(C(=O)Nc3ccccc3Br)c2)cc(-c2ccccc2)n1.
What is the InChIKey of N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
The InChIKey is BDHPIORZULDSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN4O/c1-16-26-22(17-8-3-2-4-9-17)15-23(27-16)28-19-11-7-10-18(14-19)24(30)29-21-13-6-5-12-20(21)25/h2-15H,1H3,(H,29,30)(H,26,27,28).
What are the key properties of N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide has a molecular weight of 459.35 g/mol, XLogP of 6.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 108808430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).