N-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide

C11H11BrN2O4 — CID 113465196

IUPACN-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide
SMILESC=C(Br)CNC(=O)c1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C11H11BrN2O4/c1-7(12)6-13-11(15)9-4-3-8(14(16)17)5-10(9)18-2/h3-5H,1,6H2,2H3,(H,13,15)
InChIKeySQOBTQLEUVTPEX-UHFFFAOYSA-N
MW315.12 g/mol
LogP2.24
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide

N-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide (PubChem CID 113465196) has the molecular formula C11H11BrN2O4 and a molecular weight of 315.12 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide
PubChem CID113465196
Molecular FormulaC11H11BrN2O4
Molecular Weight315.12 g/mol
Exact Mass313.99
IUPAC NameN-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide
SMILESC=C(Br)CNC(=O)c1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C11H11BrN2O4/c1-7(12)6-13-11(15)9-4-3-8(14(16)17)5-10(9)18-2/h3-5H,1,6H2,2H3,(H,13,15)
InChIKeySQOBTQLEUVTPEX-UHFFFAOYSA-N
XLogP2.24
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-bromoethyl)-2-methoxy-4-nitrobenzamide
CID 104783551
N-[(2S)-2-hydroxypropyl]-2-methoxy-4-nitrobenzamide
CID 113452647
N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide
CID 113238601
N-[2-(2-hydroxyethoxy)ethyl]-2-methoxy-4-nitrobenzamide
CID 104783659
N,2-dimethoxy-4-nitrobenzamide
CID 44632214
N-(2-bromo-4-methylpentyl)-2-methoxy-4-nitrobenzamide
CID 107157781
N-(2-amino-3-methylbutyl)-2-methoxy-4-nitrobenzamide
CID 104783820
5-[(2-methoxy-4-nitrobenzoyl)amino]pentanoic acid
CID 104783294
methyl 2-methoxy-4-nitrobenzoate
CID 10798535
2-[[(2-methoxy-4-nitrobenzoyl)amino]methyl]butanoic acid
CID 104783302
N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide
CID 104783674
N-(4-chloro-2-methylbutyl)-2-methoxy-4-nitrobenzamide
CID 104784808

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide (CID 113465196) is N-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide is C=C(Br)CNC(=O)c1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide?
The InChIKey is SQOBTQLEUVTPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O4/c1-7(12)6-13-11(15)9-4-3-8(14(16)17)5-10(9)18-2/h3-5H,1,6H2,2H3,(H,13,15).
What are the key properties of N-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide?
N-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide has a molecular weight of 315.12 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide is sourced from PubChem (CID 113465196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).