2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide

C11H13BrClNO2 — CID 62225534

IUPAC2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide
SMILESCOc1ccc(C(Cl)C(=O)N(C)C)cc1Br
InChIInChI=1S/C11H13BrClNO2/c1-14(2)11(15)10(13)7-4-5-9(16-3)8(12)6-7/h4-6,10H,1-3H3
InChIKeyMGMVCYWMINRLEC-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.83
Rot. Bonds3

About 2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide

2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide (PubChem CID 62225534) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide
PubChem CID62225534
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide
SMILESCOc1ccc(C(Cl)C(=O)N(C)C)cc1Br
InChIInChI=1S/C11H13BrClNO2/c1-14(2)11(15)10(13)7-4-5-9(16-3)8(12)6-7/h4-6,10H,1-3H3
InChIKeyMGMVCYWMINRLEC-UHFFFAOYSA-N
XLogP2.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.83
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

[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]azanium
CID 9001642
3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)-2-methylpropanoic acid
CID 116908055
methyl 3-(3-bromo-4-methoxyphenyl)-3-(dimethylamino)propanoate
CID 116910189
methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate
CID 62214467
2-(3-bromo-4-methoxyphenyl)-2-[formyl(methyl)amino]acetic acid
CID 63688709
3-(3-bromo-4-methoxyphenyl)-3-hydroxy-N-methoxy-N-methylpropanamide
CID 164893313
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide
CID 106818464
2-bromo-4-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-methoxybenzene
CID 63434744
3-(3-bromo-4-methoxyphenyl)butanoic acid
CID 82049975
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 47119084
3-amino-4-(3-bromo-4-methoxyphenyl)-4-(dimethylamino)butanoic acid
CID 116911882

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide (CID 62225534) is 2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide is COc1ccc(C(Cl)C(=O)N(C)C)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide?
The InChIKey is MGMVCYWMINRLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-14(2)11(15)10(13)7-4-5-9(16-3)8(12)6-7/h4-6,10H,1-3H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide?
2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide has a molecular weight of 306.59 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide is sourced from PubChem (CID 62225534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).