N-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C17H10BrClFN3O3 — CID 16815257

IUPACN-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1c[nH]c(=O)n(-c2ccc(F)c(Cl)c2)c1=O
InChIInChI=1S/C17H10BrClFN3O3/c18-9-2-1-3-10(6-9)22-15(24)12-8-21-17(26)23(16(12)25)11-4-5-14(20)13(19)7-11/h1-8H,(H,21,26)(H,22,24)
InChIKeyPTPSRJMLDJZLIP-UHFFFAOYSA-N
MW438.64 g/mol
LogP3.33
Rot. Bonds3

About N-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 16815257) has the molecular formula C17H10BrClFN3O3 and a molecular weight of 438.64 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID16815257
Molecular FormulaC17H10BrClFN3O3
Molecular Weight438.64 g/mol
Exact Mass436.96
IUPAC NameN-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1c[nH]c(=O)n(-c2ccc(F)c(Cl)c2)c1=O
InChIInChI=1S/C17H10BrClFN3O3/c18-9-2-1-3-10(6-9)22-15(24)12-8-21-17(26)23(16(12)25)11-4-5-14(20)13(19)7-11/h1-8H,(H,21,26)(H,22,24)
InChIKeyPTPSRJMLDJZLIP-UHFFFAOYSA-N
XLogP3.33
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.64
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 16815257) is N-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(Nc1cccc(Br)c1)c1c[nH]c(=O)n(-c2ccc(F)c(Cl)c2)c1=O.
What is the InChIKey of N-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is PTPSRJMLDJZLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClFN3O3/c18-9-2-1-3-10(6-9)22-15(24)12-8-21-17(26)23(16(12)25)11-4-5-14(20)13(19)7-11/h1-8H,(H,21,26)(H,22,24).
What are the key properties of N-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 438.64 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 16815257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).