2-amino-3-chloro-N-methyl-5-nitrobenzamide

C8H8ClN3O3 — CID 107199890

IUPAC2-amino-3-chloro-N-methyl-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N
InChIInChI=1S/C8H8ClN3O3/c1-11-8(13)5-2-4(12(14)15)3-6(9)7(5)10/h2-3H,10H2,1H3,(H,11,13)
InChIKeySFCFOWKVYRSLTI-UHFFFAOYSA-N
MW229.62 g/mol
LogP1.19
Rot. Bonds2

About 2-amino-3-chloro-N-methyl-5-nitrobenzamide

2-amino-3-chloro-N-methyl-5-nitrobenzamide (PubChem CID 107199890) has the molecular formula C8H8ClN3O3 and a molecular weight of 229.62 g/mol. Its IUPAC name is 2-amino-3-chloro-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-methyl-5-nitrobenzamide
PubChem CID107199890
Molecular FormulaC8H8ClN3O3
Molecular Weight229.62 g/mol
Exact Mass229.03
IUPAC Name2-amino-3-chloro-N-methyl-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N
InChIInChI=1S/C8H8ClN3O3/c1-11-8(13)5-2-4(12(14)15)3-6(9)7(5)10/h2-3H,10H2,1H3,(H,11,13)
InChIKeySFCFOWKVYRSLTI-UHFFFAOYSA-N
XLogP1.19
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide
CID 107199933
2-amino-3-chloro-5-nitro-N-phenylbenzamide
CID 107199870
2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide
CID 107200431
2-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzamide
CID 107200617
2-amino-3-chloro-N-[2-(dimethylamino)propyl]-5-nitrobenzamide
CID 107200277
2-amino-3-chloro-N-hexan-3-yl-5-nitrobenzamide
CID 107200144
2-amino-3-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-nitrobenzamide
CID 107200383
2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide
CID 107200771
2-amino-3-chloro-5-nitro-N-(1-thiophen-2-ylethyl)benzamide
CID 107200057
2-amino-3-chloro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 107200381
2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide
CID 107200117
2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide
CID 107200538

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-methyl-5-nitrobenzamide?
The IUPAC name of 2-amino-3-chloro-N-methyl-5-nitrobenzamide (CID 107199890) is 2-amino-3-chloro-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 2-amino-3-chloro-N-methyl-5-nitrobenzamide?
The canonical SMILES for 2-amino-3-chloro-N-methyl-5-nitrobenzamide is CNC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-methyl-5-nitrobenzamide?
The InChIKey is SFCFOWKVYRSLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O3/c1-11-8(13)5-2-4(12(14)15)3-6(9)7(5)10/h2-3H,10H2,1H3,(H,11,13).
What are the key properties of 2-amino-3-chloro-N-methyl-5-nitrobenzamide?
2-amino-3-chloro-N-methyl-5-nitrobenzamide has a molecular weight of 229.62 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 107199890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).