N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide

C23H15ClFN3O2 — CID 53116991

IUPACN-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1
InChIInChI=1S/C23H15ClFN3O2/c24-20-12-18(9-10-21(20)25)28-22(29)16-6-4-5-15(11-16)17-13-26-23(27-14-17)30-19-7-2-1-3-8-19/h1-14H,(H,28,29)
InChIKeyGIOCBXCGCVPKAS-UHFFFAOYSA-N
MW419.84 g/mol
LogP5.98
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide

N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide (PubChem CID 53116991) has the molecular formula C23H15ClFN3O2 and a molecular weight of 419.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
PubChem CID53116991
Molecular FormulaC23H15ClFN3O2
Molecular Weight419.84 g/mol
Exact Mass419.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1
InChIInChI=1S/C23H15ClFN3O2/c24-20-12-18(9-10-21(20)25)28-22(29)16-6-4-5-15(11-16)17-13-26-23(27-14-17)30-19-7-2-1-3-8-19/h1-14H,(H,28,29)
InChIKeyGIOCBXCGCVPKAS-UHFFFAOYSA-N
XLogP5.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.84
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)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-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 53116939
N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116986
N-(3-chloro-4-fluorophenyl)-3-pyridin-4-yloxybenzamide
CID 91103914
N-(3-chloro-4-fluorophenyl)-3-phenylmethoxybenzamide
CID 1074686
N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386531
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116889
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 43877944
N-(3,4-dichlorophenyl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 164589476
3-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-(2-methoxyphenyl)benzamide
CID 53116926
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide (CID 53116991) is N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide is O=C(Nc1ccc(F)c(Cl)c1)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide?
The InChIKey is GIOCBXCGCVPKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN3O2/c24-20-12-18(9-10-21(20)25)28-22(29)16-6-4-5-15(11-16)17-13-26-23(27-14-17)30-19-7-2-1-3-8-19/h1-14H,(H,28,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide?
N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide has a molecular weight of 419.84 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide is sourced from PubChem (CID 53116991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).