N-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide

C12H15BrClNO2 — CID 104555981

IUPACN-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide
SMILESCC(CBr)N(C)C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C12H15BrClNO2/c1-9(7-13)15(2)12(16)8-17-11-5-3-4-10(14)6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyFZNFVIDTMGWLJQ-UHFFFAOYSA-N
MW320.61 g/mol
LogP2.96
Rot. Bonds5

About N-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide

N-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide (PubChem CID 104555981) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide
PubChem CID104555981
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC NameN-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide
SMILESCC(CBr)N(C)C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C12H15BrClNO2/c1-9(7-13)15(2)12(16)8-17-11-5-3-4-10(14)6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyFZNFVIDTMGWLJQ-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 52.96
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

2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573280
N-(2-bromo-3-methoxypropyl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 80671968
1-(3-chlorophenoxy)-3-ethoxypropan-2-one
CID 114553807
N-(1-aminopropan-2-yl)-2-(3,5-dichlorophenoxy)-N-methylacetamide;hydrochloride
CID 119582731
2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide
CID 61093481
N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 66185919
2-(3-chlorophenoxy)-N-ethoxyacetamide
CID 60700548
2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9013268
2-(3-chlorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 112977302
2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide
CID 64996994
N-(2-bromoethyl)-2-(3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 107492685
N-(2-aminophenyl)-2-(3-chlorophenoxy)-N-ethylacetamide
CID 62229641

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide?
The IUPAC name of N-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide (CID 104555981) is N-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide is CC(CBr)N(C)C(=O)COc1cccc(Cl)c1.
What is the InChIKey of N-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide?
The InChIKey is FZNFVIDTMGWLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-9(7-13)15(2)12(16)8-17-11-5-3-4-10(14)6-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide?
N-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide has a molecular weight of 320.61 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-2-(3-chlorophenoxy)-N-methylacetamide is sourced from PubChem (CID 104555981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).