N-(6-acetyl-3-bromo-2-methylphenyl)formamide

C10H10BrNO2 — CID 167161838

IUPACN-(6-acetyl-3-bromo-2-methylphenyl)formamide
SMILESCC(=O)c1ccc(Br)c(C)c1NC=O
InChIInChI=1S/C10H10BrNO2/c1-6-9(11)4-3-8(7(2)14)10(6)12-5-13/h3-5H,1-2H3,(H,12,13)
InChIKeyWDOQSUPXGUTYRM-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.53
Rot. Bonds3

About N-(6-acetyl-3-bromo-2-methylphenyl)formamide

N-(6-acetyl-3-bromo-2-methylphenyl)formamide (PubChem CID 167161838) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is N-(6-acetyl-3-bromo-2-methylphenyl)formamide.

Molecular Properties

Compound NameN-(6-acetyl-3-bromo-2-methylphenyl)formamide
PubChem CID167161838
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC NameN-(6-acetyl-3-bromo-2-methylphenyl)formamide
SMILESCC(=O)c1ccc(Br)c(C)c1NC=O
InChIInChI=1S/C10H10BrNO2/c1-6-9(11)4-3-8(7(2)14)10(6)12-5-13/h3-5H,1-2H3,(H,12,13)
InChIKeyWDOQSUPXGUTYRM-UHFFFAOYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-acetyl-3-bromo-2-methylbenzaldehyde
CID 171002269
3-acetyl-6-bromo-2-chlorobenzaldehyde
CID 171000505
6-acetyl-3-bromo-2-(difluoromethyl)benzaldehyde
CID 171001474
N-(4-bromo-2-methoxy-3-methylphenyl)formamide
CID 168654128
4-acetyl-3-bromobenzaldehyde
CID 170904389
1-(7-bromo-2,3-dimethyl-1-benzofuran-4-yl)ethanone
CID 121014942
4-bromo-2-fluoro-N-hydroxy-3-methylbenzamide
CID 131110604
N-(6-bromo-2-hydroxy-3-iodophenyl)formamide
CID 168654465
N-(2,4-dibromo-6-methylphenyl)formamide
CID 168652451
6-acetyl-3-bromo-2-(difluoromethyl)benzonitrile
CID 171000737
4-bromo-2-iodo-3-methylbenzamide
CID 171033351
2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone
CID 84801502

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-3-bromo-2-methylphenyl)formamide?
The IUPAC name of N-(6-acetyl-3-bromo-2-methylphenyl)formamide (CID 167161838) is N-(6-acetyl-3-bromo-2-methylphenyl)formamide.
What is the SMILES notation for N-(6-acetyl-3-bromo-2-methylphenyl)formamide?
The canonical SMILES for N-(6-acetyl-3-bromo-2-methylphenyl)formamide is CC(=O)c1ccc(Br)c(C)c1NC=O.
What is the InChIKey of N-(6-acetyl-3-bromo-2-methylphenyl)formamide?
The InChIKey is WDOQSUPXGUTYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-6-9(11)4-3-8(7(2)14)10(6)12-5-13/h3-5H,1-2H3,(H,12,13).
What are the key properties of N-(6-acetyl-3-bromo-2-methylphenyl)formamide?
N-(6-acetyl-3-bromo-2-methylphenyl)formamide has a molecular weight of 256.10 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-3-bromo-2-methylphenyl)formamide is sourced from PubChem (CID 167161838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).