N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide

C9H8BrClN2O3 — CID 75124042

IUPACN-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide
SMILESCC(=O)Nc1c([N+](=O)[O-])cc(C)c(Cl)c1Br
InChIInChI=1S/C9H8BrClN2O3/c1-4-3-6(13(15)16)9(12-5(2)14)7(10)8(4)11/h3H,1-2H3,(H,12,14)
InChIKeyHCDMMMHCHBIUEA-UHFFFAOYSA-N
MW307.53 g/mol
LogP3.28
Rot. Bonds2

About N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide

N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide (PubChem CID 75124042) has the molecular formula C9H8BrClN2O3 and a molecular weight of 307.53 g/mol. Its IUPAC name is N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide
PubChem CID75124042
Molecular FormulaC9H8BrClN2O3
Molecular Weight307.53 g/mol
Exact Mass305.94
IUPAC NameN-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide
SMILESCC(=O)Nc1c([N+](=O)[O-])cc(C)c(Cl)c1Br
InChIInChI=1S/C9H8BrClN2O3/c1-4-3-6(13(15)16)9(12-5(2)14)7(10)8(4)11/h3H,1-2H3,(H,12,14)
InChIKeyHCDMMMHCHBIUEA-UHFFFAOYSA-N
XLogP3.28
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamido-6-methyl-2,4-dinitrophenyl)acetamide
CID 102249243
N-(4-bromo-2,6-dichloro-3-nitrophenyl)acetamide
CID 12622271
4-acetamido-3-chloro-5-nitrobenzoic acid
CID 154365405
2,3-dichloro-4-methyl-6-nitrobenzoic acid
CID 87869855
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 134828491
N-(3,4,6-trichloro-2-nitrophenyl)acetamide
CID 4582781
N-(2-chloro-4-ethoxy-6-nitrophenyl)acetamide
CID 91674197
4-chloro-3-methyl-5-nitrophenol
CID 118799935
N-(2,5-dibromo-4-nitrophenyl)acetamide
CID 11325213
2,4-dibromo-3-chloro-1,5-dinitrobenzene
CID 175294119
N-[6-bromo-3-(2-chloroacetyl)-4-methyl-2-nitrophenyl]acetamide
CID 131862024
4-chloro-1,2,3-trimethyl-5-nitrobenzene
CID 162041077

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide?
The IUPAC name of N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide (CID 75124042) is N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide?
The canonical SMILES for N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide is CC(=O)Nc1c([N+](=O)[O-])cc(C)c(Cl)c1Br.
What is the InChIKey of N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide?
The InChIKey is HCDMMMHCHBIUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2O3/c1-4-3-6(13(15)16)9(12-5(2)14)7(10)8(4)11/h3H,1-2H3,(H,12,14).
What are the key properties of N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide?
N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide has a molecular weight of 307.53 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chloro-4-methyl-6-nitrophenyl)acetamide is sourced from PubChem (CID 75124042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).