N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide

C10H11BrClNO — CID 82093740

IUPACN-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide
SMILESCc1ccc(N(C)C(=O)CCl)cc1Br
InChIInChI=1S/C10H11BrClNO/c1-7-3-4-8(5-9(7)11)13(2)10(14)6-12/h3-5H,6H2,1-2H3
InChIKeyVPPUPEJWGDPPRU-UHFFFAOYSA-N
MW276.56 g/mol
LogP2.96
Rot. Bonds2

About N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide

N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide (PubChem CID 82093740) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide
PubChem CID82093740
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC NameN-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide
SMILESCc1ccc(N(C)C(=O)CCl)cc1Br
InChIInChI=1S/C10H11BrClNO/c1-7-3-4-8(5-9(7)11)13(2)10(14)6-12/h3-5H,6H2,1-2H3
InChIKeyVPPUPEJWGDPPRU-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-chloro-N-methylacetamide
CID 82093743
N-(3-bromo-4-methylphenyl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 122145796
2-chloro-N-(4-chlorophenyl)-N-methylacetamide
CID 12603569
2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
CID 82082325
2-chloro-N-methyl-N-(2,4,6-trimethylphenyl)acetamide
CID 82080926
2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115161938
2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233
N-(3-bromo-4-methylphenyl)acetohydrazide
CID 82293551
2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide
CID 115161900
3-bromo-N-(1-chloropropan-2-yl)-N,4-dimethylbenzamide
CID 104555602
2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
CID 115161877
N-(3,4-dimethylphenyl)-N-methyl-3-oxobutanamide
CID 115176241

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide (CID 82093740) is N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide is Cc1ccc(N(C)C(=O)CCl)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide?
The InChIKey is VPPUPEJWGDPPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-7-3-4-8(5-9(7)11)13(2)10(14)6-12/h3-5H,6H2,1-2H3.
What are the key properties of N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide?
N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide has a molecular weight of 276.56 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide is sourced from PubChem (CID 82093740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).