N-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide

C14H13BrClN3O2 — CID 114760129

IUPACN-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide
SMILESNc1ccc(NC(=O)CCn2cccc(Br)c2=O)c(Cl)c1
InChIInChI=1S/C14H13BrClN3O2/c15-10-2-1-6-19(14(10)21)7-5-13(20)18-12-4-3-9(17)8-11(12)16/h1-4,6,8H,5,7,17H2,(H,18,20)
InChIKeyDMQIHDAJJPIIRY-UHFFFAOYSA-N
MW370.63 g/mol
LogP2.88
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide

N-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide (PubChem CID 114760129) has the molecular formula C14H13BrClN3O2 and a molecular weight of 370.63 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide
PubChem CID114760129
Molecular FormulaC14H13BrClN3O2
Molecular Weight370.63 g/mol
Exact Mass368.99
IUPAC NameN-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide
SMILESNc1ccc(NC(=O)CCn2cccc(Br)c2=O)c(Cl)c1
InChIInChI=1S/C14H13BrClN3O2/c15-10-2-1-6-19(14(10)21)7-5-13(20)18-12-4-3-9(17)8-11(12)16/h1-4,6,8H,5,7,17H2,(H,18,20)
InChIKeyDMQIHDAJJPIIRY-UHFFFAOYSA-N
XLogP2.88
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide
CID 114760027
N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide
CID 114760151
N-(2-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide
CID 2746136
4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide
CID 114761608
N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide
CID 114760013
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one
CID 114760067
N-(4-amino-2-chlorophenyl)-3-(3-oxo-1,4-diazepan-1-yl)propanamide
CID 65361182
N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide
CID 16778868
N-(3-aminophenyl)-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
CID 63172233
N-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 61236635
N-(4-amino-2-chlorophenyl)-4-(4-bromopyrazol-1-yl)butanamide
CID 61035006

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide (CID 114760129) is N-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide is Nc1ccc(NC(=O)CCn2cccc(Br)c2=O)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide?
The InChIKey is DMQIHDAJJPIIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O2/c15-10-2-1-6-19(14(10)21)7-5-13(20)18-12-4-3-9(17)8-11(12)16/h1-4,6,8H,5,7,17H2,(H,18,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide?
N-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide has a molecular weight of 370.63 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-3-(3-bromo-2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 114760129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).