N-(4-bromo-3-ethoxyphenyl)formamide

C9H10BrNO2 — CID 143337973

IUPACN-(4-bromo-3-ethoxyphenyl)formamide
SMILESCCOc1cc(NC=O)ccc1Br
InChIInChI=1S/C9H10BrNO2/c1-2-13-9-5-7(11-6-12)3-4-8(9)10/h3-6H,2H2,1H3,(H,11,12)
InChIKeyYGCBPDMOVGSUQA-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.42
Rot. Bonds4

About N-(4-bromo-3-ethoxyphenyl)formamide

N-(4-bromo-3-ethoxyphenyl)formamide (PubChem CID 143337973) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is N-(4-bromo-3-ethoxyphenyl)formamide.

Molecular Properties

Compound NameN-(4-bromo-3-ethoxyphenyl)formamide
PubChem CID143337973
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC NameN-(4-bromo-3-ethoxyphenyl)formamide
SMILESCCOc1cc(NC=O)ccc1Br
InChIInChI=1S/C9H10BrNO2/c1-2-13-9-5-7(11-6-12)3-4-8(9)10/h3-6H,2H2,1H3,(H,11,12)
InChIKeyYGCBPDMOVGSUQA-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.42
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

4-bromo-3-ethoxy-N-methylaniline
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5-[(4-bromo-3-ethoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168541026
4-bromo-3-ethoxyaniline
CID 7015503
N-(4-ethoxy-3-pyrrol-1-ylphenyl)formamide
CID 168654134
N-(3-ethoxyphenyl)formamide
CID 57236062
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
N-(4-bromo-5-ethoxy-2-nitrophenyl)formamide
CID 168654266
4-bromo-3-ethoxybenzenesulfonamide
CID 47000870
4-bromo-3-ethoxy-N-ethylbenzenesulfonamide
CID 39845206
4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide
CID 25252499
4-bromo-3-ethoxy-N-propylbenzenesulfonamide
CID 6473509
N-(2-ethoxyphenyl)formamide;molecular hydrogen
CID 142473191

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-ethoxyphenyl)formamide?
The IUPAC name of N-(4-bromo-3-ethoxyphenyl)formamide (CID 143337973) is N-(4-bromo-3-ethoxyphenyl)formamide.
What is the SMILES notation for N-(4-bromo-3-ethoxyphenyl)formamide?
The canonical SMILES for N-(4-bromo-3-ethoxyphenyl)formamide is CCOc1cc(NC=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-ethoxyphenyl)formamide?
The InChIKey is YGCBPDMOVGSUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-2-13-9-5-7(11-6-12)3-4-8(9)10/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of N-(4-bromo-3-ethoxyphenyl)formamide?
N-(4-bromo-3-ethoxyphenyl)formamide has a molecular weight of 244.09 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-ethoxyphenyl)formamide is sourced from PubChem (CID 143337973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).