N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide

C24H19BrN4O — CID 50826542

IUPACN-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
SMILESCc1ccc(-c2cnc(Nc3cccc(C(=O)Nc4cccc(Br)c4)c3)nc2)cc1
InChIInChI=1S/C24H19BrN4O/c1-16-8-10-17(11-9-16)19-14-26-24(27-15-19)29-21-6-2-4-18(12-21)23(30)28-22-7-3-5-20(25)13-22/h2-15H,1H3,(H,28,30)(H,26,27,29)
InChIKeyDLVJHHKGFNMJSN-UHFFFAOYSA-N
MW459.35 g/mol
LogP6.21
Rot. Bonds5

About N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide

N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide (PubChem CID 50826542) has the molecular formula C24H19BrN4O and a molecular weight of 459.35 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
PubChem CID50826542
Molecular FormulaC24H19BrN4O
Molecular Weight459.35 g/mol
Exact Mass458.07
IUPAC NameN-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
SMILESCc1ccc(-c2cnc(Nc3cccc(C(=O)Nc4cccc(Br)c4)c3)nc2)cc1
InChIInChI=1S/C24H19BrN4O/c1-16-8-10-17(11-9-16)19-14-26-24(27-15-19)29-21-6-2-4-18(12-21)23(30)28-22-7-3-5-20(25)13-22/h2-15H,1H3,(H,28,30)(H,26,27,29)
InChIKeyDLVJHHKGFNMJSN-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

Analyze N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826585
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
2-(3-bromoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266425
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269522
N-(3,4-dimethoxyphenyl)-3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 50826559
4-[2-(benzylamino)pyrimidin-5-yl]-N-(3-bromophenyl)benzamide
CID 53108676
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 50826661
N-(3-chloro-4-methoxyphenyl)-3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 50826642
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide (CID 50826542) is N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide is Cc1ccc(-c2cnc(Nc3cccc(C(=O)Nc4cccc(Br)c4)c3)nc2)cc1.
What is the InChIKey of N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide?
The InChIKey is DLVJHHKGFNMJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN4O/c1-16-8-10-17(11-9-16)19-14-26-24(27-15-19)29-21-6-2-4-18(12-21)23(30)28-22-7-3-5-20(25)13-22/h2-15H,1H3,(H,28,30)(H,26,27,29).
What are the key properties of N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide?
N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-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-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 50826542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).