2-chloro-N-ethyl-N-methyl-5-nitrobenzamide

C10H11ClN2O3 — CID 43243488

IUPAC2-chloro-N-ethyl-N-methyl-5-nitrobenzamide
SMILESCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H11ClN2O3/c1-3-12(2)10(14)8-6-7(13(15)16)4-5-9(8)11/h4-6H,3H2,1-2H3
InChIKeySEUYHSSMHJLRIH-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.34
Rot. Bonds3

About 2-chloro-N-ethyl-N-methyl-5-nitrobenzamide

2-chloro-N-ethyl-N-methyl-5-nitrobenzamide (PubChem CID 43243488) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-methyl-5-nitrobenzamide
PubChem CID43243488
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name2-chloro-N-ethyl-N-methyl-5-nitrobenzamide
SMILESCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C10H11ClN2O3/c1-3-12(2)10(14)8-6-7(13(15)16)4-5-9(8)11/h4-6H,3H2,1-2H3
InChIKeySEUYHSSMHJLRIH-UHFFFAOYSA-N
XLogP2.34
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.34
H-Bond Donors ≤ 50
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

N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide
CID 134005734
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide
CID 63865891
2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 43564505
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-5-nitrobenzamide
CID 78801742
N,N-di(butan-2-yl)-2-chloro-5-nitrobenzamide
CID 4526092
2-chloro-N-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 43396643
2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide
CID 43081835
2-chloro-N-(2-hydroxyethyl)-5-nitro-N-propylbenzamide
CID 60747371
2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-nitrobenzamide
CID 104928075
N,N-bis(2-amino-2-oxoethyl)-2-chloro-5-nitrobenzamide
CID 62923761
N-(azetidin-3-yl)-2-chloro-N-methyl-5-nitrobenzamide
CID 66185472
2-[butan-2-yl-(2-chloro-5-nitrobenzoyl)amino]acetic acid
CID 60828418

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-methyl-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-ethyl-N-methyl-5-nitrobenzamide (CID 43243488) is 2-chloro-N-ethyl-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-methyl-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-ethyl-N-methyl-5-nitrobenzamide is CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-N-methyl-5-nitrobenzamide?
The InChIKey is SEUYHSSMHJLRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-3-12(2)10(14)8-6-7(13(15)16)4-5-9(8)11/h4-6H,3H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-methyl-5-nitrobenzamide?
2-chloro-N-ethyl-N-methyl-5-nitrobenzamide has a molecular weight of 242.66 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 43243488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).