2-chloro-5-(2-nitroethyl)benzamide

C9H9ClN2O3 — CID 57071444

IUPAC2-chloro-5-(2-nitroethyl)benzamide
SMILESNC(=O)c1cc(CC[N+](=O)[O-])ccc1Cl
InChIInChI=1S/C9H9ClN2O3/c10-8-2-1-6(3-4-12(14)15)5-7(8)9(11)13/h1-2,5H,3-4H2,(H2,11,13)
InChIKeyIXBLSDITDGTTKC-UHFFFAOYSA-N
MW228.64 g/mol
LogP1.26
Rot. Bonds4

About 2-chloro-5-(2-nitroethyl)benzamide

2-chloro-5-(2-nitroethyl)benzamide (PubChem CID 57071444) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.64 g/mol. Its IUPAC name is 2-chloro-5-(2-nitroethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(2-nitroethyl)benzamide
PubChem CID57071444
Molecular FormulaC9H9ClN2O3
Molecular Weight228.64 g/mol
Exact Mass228.03
IUPAC Name2-chloro-5-(2-nitroethyl)benzamide
SMILESNC(=O)c1cc(CC[N+](=O)[O-])ccc1Cl
InChIInChI=1S/C9H9ClN2O3/c10-8-2-1-6(3-4-12(14)15)5-7(8)9(11)13/h1-2,5H,3-4H2,(H2,11,13)
InChIKeyIXBLSDITDGTTKC-UHFFFAOYSA-N
XLogP1.26
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.64
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-(2-bromoethyl)-2-chlorobenzamide
CID 57248047
2-amino-4-(2-nitroethyl)benzoic acid
CID 67245755
(3-carbamoyl-4-chlorophenyl)methanesulfonic acid
CID 159734551
[4-(2-nitroethyl)phenyl]methanol
CID 58219289
4-[(3-carbamoyl-4-chlorophenyl)methyl]piperazine-1-carboxylic acid
CID 154031948
3-(2-nitroethyl)benzoic acid
CID 55250732
2-chloro-5-hydroxybenzamide
CID 57422942
2-[(2-amino-2-oxoethyl)-[(4-chloro-3-nitrophenyl)methyl]amino]acetamide
CID 62923477
5-[2-[2-chloro-4-(trifluoromethyl)phenoxy]ethyl]-2-nitrobenzamide
CID 57091219
4,5-dichloro-2-nitrobenzamide
CID 69073651
2-chloro-4-iodo-5-nitrobenzamide
CID 171004738
2-chloro-5-iodo-4-nitrobenzamide
CID 171004893

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-nitroethyl)benzamide?
The IUPAC name of 2-chloro-5-(2-nitroethyl)benzamide (CID 57071444) is 2-chloro-5-(2-nitroethyl)benzamide.
What is the SMILES notation for 2-chloro-5-(2-nitroethyl)benzamide?
The canonical SMILES for 2-chloro-5-(2-nitroethyl)benzamide is NC(=O)c1cc(CC[N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-5-(2-nitroethyl)benzamide?
The InChIKey is IXBLSDITDGTTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c10-8-2-1-6(3-4-12(14)15)5-7(8)9(11)13/h1-2,5H,3-4H2,(H2,11,13).
What are the key properties of 2-chloro-5-(2-nitroethyl)benzamide?
2-chloro-5-(2-nitroethyl)benzamide has a molecular weight of 228.64 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-nitroethyl)benzamide is sourced from PubChem (CID 57071444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).