N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide

C14H12BrClFN3O — CID 105387021

IUPACN-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)Nc2ccc(Cl)cc2Br)c1F
InChIInChI=1S/C14H12BrClFN3O/c1-2-18-13-12(17)9(5-6-19-13)14(21)20-11-4-3-8(16)7-10(11)15/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyCGEFSQPXQHFHHQ-UHFFFAOYSA-N
MW372.63 g/mol
LogP4.32
Rot. Bonds4

About N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide

N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide (PubChem CID 105387021) has the molecular formula C14H12BrClFN3O and a molecular weight of 372.63 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
PubChem CID105387021
Molecular FormulaC14H12BrClFN3O
Molecular Weight372.63 g/mol
Exact Mass370.98
IUPAC NameN-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)Nc2ccc(Cl)cc2Br)c1F
InChIInChI=1S/C14H12BrClFN3O/c1-2-18-13-12(17)9(5-6-19-13)14(21)20-11-4-3-8(16)7-10(11)15/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyCGEFSQPXQHFHHQ-UHFFFAOYSA-N
XLogP4.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.63
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384647
2-(ethylamino)-3-fluoro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 105384563
N-(3-bromo-4-methylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105386278
N-(2,5-dimethylphenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384421
N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide
CID 81024059
N-(2-chloro-6-fluorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387655
N-(2-bromo-4-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384019
2-(ethylamino)-3-fluoro-N-(3-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 105386333
N-(2-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 81024129
N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 81027870
N-(2-bromo-4-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107376370
N-(5-chloro-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105383965

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide (CID 105387021) is N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide is CCNc1nccc(C(=O)Nc2ccc(Cl)cc2Br)c1F.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The InChIKey is CGEFSQPXQHFHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN3O/c1-2-18-13-12(17)9(5-6-19-13)14(21)20-11-4-3-8(16)7-10(11)15/h3-7H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide has a molecular weight of 372.63 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105387021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).