N-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide

C14H12BrClFN3O — CID 103741296

IUPACN-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)Nc2c(F)cccc2Br)n1
InChIInChI=1S/C14H12BrClFN3O/c1-7(2)13-18-6-9(16)12(19-13)14(21)20-11-8(15)4-3-5-10(11)17/h3-7H,1-2H3,(H,20,21)
InChIKeyPOWIMGCFLCWEMT-UHFFFAOYSA-N
MW372.63 g/mol
LogP4.41
Rot. Bonds3

About N-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide

N-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 103741296) has the molecular formula C14H12BrClFN3O and a molecular weight of 372.63 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID103741296
Molecular FormulaC14H12BrClFN3O
Molecular Weight372.63 g/mol
Exact Mass370.98
IUPAC NameN-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)Nc2c(F)cccc2Br)n1
InChIInChI=1S/C14H12BrClFN3O/c1-7(2)13-18-6-9(16)12(19-13)14(21)20-11-8(15)4-3-5-10(11)17/h3-7H,1-2H3,(H,20,21)
InChIKeyPOWIMGCFLCWEMT-UHFFFAOYSA-N
XLogP4.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.63
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 62022282
N-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 102674171
2-[4-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109954
N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide
CID 62047155
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
N-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 86857183
5-amino-N-(2-bromo-6-fluorophenyl)pyrazine-2-carboxamide
CID 107603346
N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 136579417
5-chloro-N-[4-[(S)-methylsulfinyl]phenyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 96565908
3-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527054
2-bromo-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 103765558
6-[(2-bromo-6-fluorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107602500

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide (CID 103741296) is N-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)Nc2c(F)cccc2Br)n1.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is POWIMGCFLCWEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN3O/c1-7(2)13-18-6-9(16)12(19-13)14(21)20-11-8(15)4-3-5-10(11)17/h3-7H,1-2H3,(H,20,21).
What are the key properties of N-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
N-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 372.63 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 103741296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).