N-(4-bromo-5-ethoxy-2-nitrophenyl)formamide

C9H9BrN2O4 — CID 168654266

IUPACN-(4-bromo-5-ethoxy-2-nitrophenyl)formamide
SMILESCCOc1cc(NC=O)c([N+](=O)[O-])cc1Br
InChIInChI=1S/C9H9BrN2O4/c1-2-16-9-4-7(11-5-13)8(12(14)15)3-6(9)10/h3-5H,2H2,1H3,(H,11,13)
InChIKeyVDAPKGYIDXYFER-UHFFFAOYSA-N
MW289.09 g/mol
LogP2.32
Rot. Bonds5

About N-(4-bromo-5-ethoxy-2-nitrophenyl)formamide

N-(4-bromo-5-ethoxy-2-nitrophenyl)formamide (PubChem CID 168654266) has the molecular formula C9H9BrN2O4 and a molecular weight of 289.09 g/mol. Its IUPAC name is N-(4-bromo-5-ethoxy-2-nitrophenyl)formamide.

Molecular Properties

Compound NameN-(4-bromo-5-ethoxy-2-nitrophenyl)formamide
PubChem CID168654266
Molecular FormulaC9H9BrN2O4
Molecular Weight289.09 g/mol
Exact Mass287.97
IUPAC NameN-(4-bromo-5-ethoxy-2-nitrophenyl)formamide
SMILESCCOc1cc(NC=O)c([N+](=O)[O-])cc1Br
InChIInChI=1S/C9H9BrN2O4/c1-2-16-9-4-7(11-5-13)8(12(14)15)3-6(9)10/h3-5H,2H2,1H3,(H,11,13)
InChIKeyVDAPKGYIDXYFER-UHFFFAOYSA-N
XLogP2.32
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-ethoxy-2-nitrobenzaldehyde
CID 155438084
1-bromo-2-ethoxy-5-fluoro-4-nitrobenzene
CID 13281435
N-(5-bromo-4-fluoro-2-nitrophenyl)formamide
CID 168651397
(4,5-diethoxy-2-nitrophenyl)hydrazine
CID 60920771
1-(5-bromo-4-ethoxy-2-nitrophenyl)ethanone
CID 171000695
N-(4-bromo-3-ethoxyphenyl)formamide
CID 143337973
N-(4-butoxy-2-nitrophenyl)formamide
CID 58958317
N-(5-methoxy-2-methyl-4-nitrophenyl)formamide
CID 168654239
N-(4-bromo-2-nitro-5-propoxyphenyl)-4-methylbenzenesulfonamide
CID 169370175
N-(5-ethoxy-2,4-dinitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide
CID 14577516
N-(5-chloro-4-methyl-2-nitrophenyl)formamide
CID 168653069
N-(4,5-diethoxy-2-nitrophenyl)butanamide
CID 86912973

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-ethoxy-2-nitrophenyl)formamide?
The IUPAC name of N-(4-bromo-5-ethoxy-2-nitrophenyl)formamide (CID 168654266) is N-(4-bromo-5-ethoxy-2-nitrophenyl)formamide.
What is the SMILES notation for N-(4-bromo-5-ethoxy-2-nitrophenyl)formamide?
The canonical SMILES for N-(4-bromo-5-ethoxy-2-nitrophenyl)formamide is CCOc1cc(NC=O)c([N+](=O)[O-])cc1Br.
What is the InChIKey of N-(4-bromo-5-ethoxy-2-nitrophenyl)formamide?
The InChIKey is VDAPKGYIDXYFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O4/c1-2-16-9-4-7(11-5-13)8(12(14)15)3-6(9)10/h3-5H,2H2,1H3,(H,11,13).
What are the key properties of N-(4-bromo-5-ethoxy-2-nitrophenyl)formamide?
N-(4-bromo-5-ethoxy-2-nitrophenyl)formamide has a molecular weight of 289.09 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-ethoxy-2-nitrophenyl)formamide is sourced from PubChem (CID 168654266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).