2-(3-chloro-N-ethyl-2-nitroanilino)-N-methylacetamide

C11H14ClN3O3 — CID 113459274

IUPAC2-(3-chloro-N-ethyl-2-nitroanilino)-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O3/c1-3-14(7-10(16)13-2)9-6-4-5-8(12)11(9)15(17)18/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyCGOHFSLVFOEBAN-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.82
Rot. Bonds5

About 2-(3-chloro-N-ethyl-2-nitroanilino)-N-methylacetamide

2-(3-chloro-N-ethyl-2-nitroanilino)-N-methylacetamide (PubChem CID 113459274) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-(3-chloro-N-ethyl-2-nitroanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-chloro-N-ethyl-2-nitroanilino)-N-methylacetamide
PubChem CID113459274
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name2-(3-chloro-N-ethyl-2-nitroanilino)-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O3/c1-3-14(7-10(16)13-2)9-6-4-5-8(12)11(9)15(17)18/h4-6H,3,7H2,1-2H3,(H,13,16)
InChIKeyCGOHFSLVFOEBAN-UHFFFAOYSA-N
XLogP1.82
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.82
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-[N-ethyl-3-(methylamino)-2-nitroanilino]-N-methylacetamide
CID 80809375
2-(3-chloro-2-nitro-N-propylanilino)acetic acid
CID 104835130
2-(3-amino-2-nitro-N-propylanilino)-N-methylacetamide
CID 80806176
N'-(3-chloro-2-nitrophenyl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995642
3-chloro-N-(2-ethoxyethyl)-N-ethyl-2-nitroaniline
CID 113459306
3-(diethylamino)-2-nitrobenzoic acid
CID 115542009
2-[2-chloro-N-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide
CID 114068279
2-(3-ethoxy-N-ethyl-2-nitroanilino)acetic acid
CID 113392862
3-chloro-N-ethyl-N-(2-methylphenyl)-2-nitroaniline
CID 104838684
3-chloro-N-(cyclopropylmethyl)-2-nitro-N-propylaniline
CID 104838880
2-(N-ethyl-2-formyl-4-nitroanilino)-N-methylacetamide
CID 61448850
1-N,3-N,3-N-triethyl-2-nitrobenzene-1,3-diamine
CID 80766771

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-ethyl-2-nitroanilino)-N-methylacetamide?
The IUPAC name of 2-(3-chloro-N-ethyl-2-nitroanilino)-N-methylacetamide (CID 113459274) is 2-(3-chloro-N-ethyl-2-nitroanilino)-N-methylacetamide.
What is the SMILES notation for 2-(3-chloro-N-ethyl-2-nitroanilino)-N-methylacetamide?
The canonical SMILES for 2-(3-chloro-N-ethyl-2-nitroanilino)-N-methylacetamide is CCN(CC(=O)NC)c1cccc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-chloro-N-ethyl-2-nitroanilino)-N-methylacetamide?
The InChIKey is CGOHFSLVFOEBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-3-14(7-10(16)13-2)9-6-4-5-8(12)11(9)15(17)18/h4-6H,3,7H2,1-2H3,(H,13,16).
What are the key properties of 2-(3-chloro-N-ethyl-2-nitroanilino)-N-methylacetamide?
2-(3-chloro-N-ethyl-2-nitroanilino)-N-methylacetamide has a molecular weight of 271.70 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-ethyl-2-nitroanilino)-N-methylacetamide is sourced from PubChem (CID 113459274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).