N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide

C23H16BrFN4O — CID 53006978

IUPACN-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H16BrFN4O/c24-17-5-11-20(12-6-17)28-23(30)16-3-9-19(10-4-16)27-21-13-14-26-22(29-21)15-1-7-18(25)8-2-15/h1-14H,(H,28,30)(H,26,27,29)
InChIKeyUSMGYICOVQZGCF-UHFFFAOYSA-N
MW463.31 g/mol
LogP6.04
Rot. Bonds5

About N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide

N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 53006978) has the molecular formula C23H16BrFN4O and a molecular weight of 463.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID53006978
Molecular FormulaC23H16BrFN4O
Molecular Weight463.31 g/mol
Exact Mass462.05
IUPAC NameN-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H16BrFN4O/c24-17-5-11-20(12-6-17)28-23(30)16-3-9-19(10-4-16)27-21-13-14-26-22(29-21)15-1-7-18(25)8-2-15/h1-14H,(H,28,30)(H,26,27,29)
InChIKeyUSMGYICOVQZGCF-UHFFFAOYSA-N
XLogP6.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.31
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078214
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
CID 53078145
N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078235
4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
CID 3439528
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 53078296
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53078203
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
CID 53078149
N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268536
N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386484
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 46331171
N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078224
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 97043915

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide (CID 53006978) is N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide is O=C(Nc1ccc(Br)cc1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is USMGYICOVQZGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrFN4O/c24-17-5-11-20(12-6-17)28-23(30)16-3-9-19(10-4-16)27-21-13-14-26-22(29-21)15-1-7-18(25)8-2-15/h1-14H,(H,28,30)(H,26,27,29).
What are the key properties of N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide?
N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 463.31 g/mol, XLogP of 6.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 53006978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).