N-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide

C15H12BrClN2O2 — CID 110614772

IUPACN-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccccc1Cl)Nc1ccc(Br)nc1
InChIInChI=1S/C15H12BrClN2O2/c16-14-7-5-10(9-18-14)19-15(21)8-6-13(20)11-3-1-2-4-12(11)17/h1-5,7,9H,6,8H2,(H,19,21)
InChIKeyKPCVFYVITAHKSP-UHFFFAOYSA-N
MW367.63 g/mol
LogP4.10
Rot. Bonds5

About N-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide

N-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide (PubChem CID 110614772) has the molecular formula C15H12BrClN2O2 and a molecular weight of 367.63 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide
PubChem CID110614772
Molecular FormulaC15H12BrClN2O2
Molecular Weight367.63 g/mol
Exact Mass365.98
IUPAC NameN-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccccc1Cl)Nc1ccc(Br)nc1
InChIInChI=1S/C15H12BrClN2O2/c16-14-7-5-10(9-18-14)19-15(21)8-6-13(20)11-3-1-2-4-12(11)17/h1-5,7,9H,6,8H2,(H,19,21)
InChIKeyKPCVFYVITAHKSP-UHFFFAOYSA-N
XLogP4.10
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
CID 110605094
N-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide
CID 110619359
N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide
CID 130770751
N-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide
CID 110614707
2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide
CID 110676330
2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide
CID 40599620
methyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110424083
N-(6-bromo-3-pyridinyl)-4-methyl-3-phenylpentanamide
CID 110408468
N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
CID 103789490
N-(6-bromo-3-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 103789384
N-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide
CID 103789408
N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
CID 108789381

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide (CID 110614772) is N-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccccc1Cl)Nc1ccc(Br)nc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide?
The InChIKey is KPCVFYVITAHKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O2/c16-14-7-5-10(9-18-14)19-15(21)8-6-13(20)11-3-1-2-4-12(11)17/h1-5,7,9H,6,8H2,(H,19,21).
What are the key properties of N-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide?
N-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide has a molecular weight of 367.63 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide is sourced from PubChem (CID 110614772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).