N-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide

C11H11BrClNO2 — CID 104700865

IUPACN-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)CBr)c1cccc(Cl)c1
InChIInChI=1S/C11H11BrClNO2/c1-8(15)14(7-11(16)6-12)10-4-2-3-9(13)5-10/h2-5H,6-7H2,1H3
InChIKeyUNAFNSKSLMZEOH-UHFFFAOYSA-N
MW304.57 g/mol
LogP2.66
Rot. Bonds4

About N-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide

N-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide (PubChem CID 104700865) has the molecular formula C11H11BrClNO2 and a molecular weight of 304.57 g/mol. Its IUPAC name is N-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide
PubChem CID104700865
Molecular FormulaC11H11BrClNO2
Molecular Weight304.57 g/mol
Exact Mass302.97
IUPAC NameN-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)CBr)c1cccc(Cl)c1
InChIInChI=1S/C11H11BrClNO2/c1-8(15)14(7-11(16)6-12)10-4-2-3-9(13)5-10/h2-5H,6-7H2,1H3
InChIKeyUNAFNSKSLMZEOH-UHFFFAOYSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.57
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-N-propylacetamide
CID 174491562
N-(3-chlorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059569
2-(N-acetyl-3-chloroanilino)-N-(3-methylphenyl)acetamide
CID 113171372
2-(N-acetyl-3-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171437
2-(N-acetyl-3-chloroanilino)-N-(2-methylpropyl)acetamide
CID 113171290
N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113059573
2-(N-acetyl-3-chloroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113171389
N-(3-chlorophenyl)-N-hydroxyacetamide
CID 13158205
methyl 4-[[2-(N-acetyl-3-chloroanilino)acetyl]amino]benzoate
CID 113171429
2-(N-acetyl-3-chloroanilino)-N-(3-phenylpropyl)acetamide
CID 113171355
2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide
CID 113167570
2-(N-acetyl-3-chloroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113171420

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide?
The IUPAC name of N-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide (CID 104700865) is N-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide?
The canonical SMILES for N-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide is CC(=O)N(CC(=O)CBr)c1cccc(Cl)c1.
What is the InChIKey of N-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide?
The InChIKey is UNAFNSKSLMZEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO2/c1-8(15)14(7-11(16)6-12)10-4-2-3-9(13)5-10/h2-5H,6-7H2,1H3.
What are the key properties of N-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide?
N-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide has a molecular weight of 304.57 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-oxopropyl)-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 104700865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).