N-(4-bromo-2-methoxy-3-methylphenyl)formamide

C9H10BrNO2 — CID 168654128

IUPACN-(4-bromo-2-methoxy-3-methylphenyl)formamide
SMILESCOc1c(NC=O)ccc(Br)c1C
InChIInChI=1S/C9H10BrNO2/c1-6-7(10)3-4-8(11-5-12)9(6)13-2/h3-5H,1-2H3,(H,11,12)
InChIKeyHRPSSTSUIMHXME-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.33
Rot. Bonds3

About N-(4-bromo-2-methoxy-3-methylphenyl)formamide

N-(4-bromo-2-methoxy-3-methylphenyl)formamide (PubChem CID 168654128) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is N-(4-bromo-2-methoxy-3-methylphenyl)formamide.

Molecular Properties

Compound NameN-(4-bromo-2-methoxy-3-methylphenyl)formamide
PubChem CID168654128
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC NameN-(4-bromo-2-methoxy-3-methylphenyl)formamide
SMILESCOc1c(NC=O)ccc(Br)c1C
InChIInChI=1S/C9H10BrNO2/c1-6-7(10)3-4-8(11-5-12)9(6)13-2/h3-5H,1-2H3,(H,11,12)
InChIKeyHRPSSTSUIMHXME-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.33
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

N-(4-bromo-2-cyano-3-methoxyphenyl)formamide
CID 168651551
N-(3-methoxy-2,4-dimethylphenyl)formamide
CID 64992554
2-[(4-bromo-2-methoxy-3-methylphenyl)hydrazinylidene]propanedinitrile
CID 169338883
N-(3-fluoro-2,4-dimethoxyphenyl)formamide
CID 168651681
methyl (E)-3-(4-bromo-2-methoxy-3-methylphenyl)prop-2-enoate
CID 145178464
5-(4-bromo-2-methoxy-3-methylphenyl)furan-2-carbaldehyde
CID 169333130
3-(4-bromo-2-methoxy-3-methylanilino)propane-1,2-diol
CID 168597062
N-(8-methoxy-2-methylquinolin-5-yl)formamide
CID 168651038
methyl 4-bromo-3-formamidobenzoate
CID 122687075
N-(4-bromo-1H-indazol-7-yl)formamide
CID 168653221
N-(4-methylnaphthalen-1-yl)formamide
CID 72513878
N-(5-bromonaphthalen-1-yl)formamide
CID 168652546

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methoxy-3-methylphenyl)formamide?
The IUPAC name of N-(4-bromo-2-methoxy-3-methylphenyl)formamide (CID 168654128) is N-(4-bromo-2-methoxy-3-methylphenyl)formamide.
What is the SMILES notation for N-(4-bromo-2-methoxy-3-methylphenyl)formamide?
The canonical SMILES for N-(4-bromo-2-methoxy-3-methylphenyl)formamide is COc1c(NC=O)ccc(Br)c1C.
What is the InChIKey of N-(4-bromo-2-methoxy-3-methylphenyl)formamide?
The InChIKey is HRPSSTSUIMHXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-6-7(10)3-4-8(11-5-12)9(6)13-2/h3-5H,1-2H3,(H,11,12).
What are the key properties of N-(4-bromo-2-methoxy-3-methylphenyl)formamide?
N-(4-bromo-2-methoxy-3-methylphenyl)formamide has a molecular weight of 244.09 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methoxy-3-methylphenyl)formamide is sourced from PubChem (CID 168654128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).