2-chloro-5-nitro-N-prop-2-enylbenzamide

C10H9ClN2O3 — CID 2390073

IUPAC2-chloro-5-nitro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H9ClN2O3/c1-2-5-12-10(14)8-6-7(13(15)16)3-4-9(8)11/h2-4,6H,1,5H2,(H,12,14)
InChIKeyRFKNCPWHSGJPIO-UHFFFAOYSA-N
MW240.65 g/mol
LogP2.16
Rot. Bonds4

About 2-chloro-5-nitro-N-prop-2-enylbenzamide

2-chloro-5-nitro-N-prop-2-enylbenzamide (PubChem CID 2390073) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-prop-2-enylbenzamide
PubChem CID2390073
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name2-chloro-5-nitro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H9ClN2O3/c1-2-5-12-10(14)8-6-7(13(15)16)3-4-9(8)11/h2-4,6H,1,5H2,(H,12,14)
InChIKeyRFKNCPWHSGJPIO-UHFFFAOYSA-N
XLogP2.16
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

[2-oxo-2-(prop-2-enylamino)ethyl] 2-chloro-5-nitrobenzoate
CID 2631093
2-chloro-N-[3-[(2-chloro-5-nitrobenzoyl)amino]propyl]-5-nitrobenzamide
CID 4119729
2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 2213152
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-chloro-5-nitrobenzoate
CID 46629733
1-(2-chloro-5-nitrophenyl)prop-2-en-1-one
CID 157321447
3-nitro-N-prop-2-enylbenzamide
CID 2832220
2-chloro-5-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 55175918
5-nitro-2-(2-phenylethynylsulfanyl)-N-prop-2-enylbenzamide
CID 102051451
2-chloro-N-heptyl-5-nitrobenzamide
CID 5111149
3-[(2-chloro-5-nitrobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427112
2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide
CID 3314376
2-chloro-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63821949

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-prop-2-enylbenzamide?
The IUPAC name of 2-chloro-5-nitro-N-prop-2-enylbenzamide (CID 2390073) is 2-chloro-5-nitro-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-chloro-5-nitro-N-prop-2-enylbenzamide?
The canonical SMILES for 2-chloro-5-nitro-N-prop-2-enylbenzamide is C=CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-prop-2-enylbenzamide?
The InChIKey is RFKNCPWHSGJPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c1-2-5-12-10(14)8-6-7(13(15)16)3-4-9(8)11/h2-4,6H,1,5H2,(H,12,14).
What are the key properties of 2-chloro-5-nitro-N-prop-2-enylbenzamide?
2-chloro-5-nitro-N-prop-2-enylbenzamide has a molecular weight of 240.65 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-prop-2-enylbenzamide is sourced from PubChem (CID 2390073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).