N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide

C11H11ClN2O4 — CID 113238601

IUPACN-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide
SMILESC=C(Cl)CNC(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C11H11ClN2O4/c1-7(12)6-13-11(15)9-5-8(14(16)17)3-4-10(9)18-2/h3-5H,1,6H2,2H3,(H,13,15)
InChIKeyOGGAIAOKMPBDSF-UHFFFAOYSA-N
MW270.67 g/mol
LogP2.09
Rot. Bonds5

About N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide

N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide (PubChem CID 113238601) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide
PubChem CID113238601
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC NameN-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide
SMILESC=C(Cl)CNC(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C11H11ClN2O4/c1-7(12)6-13-11(15)9-5-8(14(16)17)3-4-10(9)18-2/h3-5H,1,6H2,2H3,(H,13,15)
InChIKeyOGGAIAOKMPBDSF-UHFFFAOYSA-N
XLogP2.09
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 52.09
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

2-methoxy-5-nitro-N-prop-2-ynylbenzamide
CID 18110111
N-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide
CID 113465196
2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide
CID 9270256
N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide
CID 9209754
(2S)-2-[[2-[(2-methoxy-5-nitrobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695276
2-methoxy-3-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid
CID 106107789
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxy-5-nitrobenzamide
CID 104857202
N-(2-hydroxypentyl)-2-methoxy-5-nitrobenzamide
CID 115700529
N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
CID 27680733
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9210501
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9269435
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide (CID 113238601) is N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide is C=C(Cl)CNC(=O)c1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide?
The InChIKey is OGGAIAOKMPBDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c1-7(12)6-13-11(15)9-5-8(14(16)17)3-4-10(9)18-2/h3-5H,1,6H2,2H3,(H,13,15).
What are the key properties of N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide?
N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide has a molecular weight of 270.67 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide is sourced from PubChem (CID 113238601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).