2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide

C12H12Cl2N2O3 — CID 107189508

IUPAC2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide
SMILESCN(C(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl)C1CCC1
InChIInChI=1S/C12H12Cl2N2O3/c1-15(7-3-2-4-7)12(17)9-5-8(16(18)19)6-10(13)11(9)14/h5-7H,2-4H2,1H3
InChIKeyRIVMTNRALHDBME-UHFFFAOYSA-N
MW303.15 g/mol
LogP3.53
Rot. Bonds3

About 2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide

2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide (PubChem CID 107189508) has the molecular formula C12H12Cl2N2O3 and a molecular weight of 303.15 g/mol. Its IUPAC name is 2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide
PubChem CID107189508
Molecular FormulaC12H12Cl2N2O3
Molecular Weight303.15 g/mol
Exact Mass302.02
IUPAC Name2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide
SMILESCN(C(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl)C1CCC1
InChIInChI=1S/C12H12Cl2N2O3/c1-15(7-3-2-4-7)12(17)9-5-8(16(18)19)6-10(13)11(9)14/h5-7H,2-4H2,1H3
InChIKeyRIVMTNRALHDBME-UHFFFAOYSA-N
XLogP3.53
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 53.53
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

3,4-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide
CID 115649173
2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide
CID 43602219
2,3-dichloro-N-(cyclopropylmethyl)-N-ethyl-5-nitrobenzamide
CID 107188914
3,4-dichloro-N-cyclopentyl-N-methyl-5-nitrobenzamide
CID 43216446
2,3-dichloro-N-cyclopropyl-5-nitro-N-prop-2-enylbenzamide
CID 107189275
N-(azetidin-3-yl)-2-chloro-N-methyl-5-nitrobenzamide
CID 66185472
2,3-dichloro-N-methyl-5-nitro-N-pentan-3-ylbenzamide
CID 107187529
N-butan-2-yl-2,3-dichloro-N-methyl-5-nitrobenzamide
CID 107187433
2,3-dichloro-N-methyl-5-nitro-N-prop-2-enylbenzamide
CID 107189270
3-chloro-N-cyclopentyl-N-methyl-2-nitrobenzamide
CID 79831168
2,3-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-nitrobenzamide
CID 107189429
3-[(2,3-dichloro-5-nitrobenzoyl)-methylamino]propanoic acid
CID 107186282

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide?
The IUPAC name of 2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide (CID 107189508) is 2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide?
The canonical SMILES for 2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide is CN(C(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl)C1CCC1.
What is the InChIKey of 2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide?
The InChIKey is RIVMTNRALHDBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3/c1-15(7-3-2-4-7)12(17)9-5-8(16(18)19)6-10(13)11(9)14/h5-7H,2-4H2,1H3.
What are the key properties of 2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide?
2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide has a molecular weight of 303.15 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 107189508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).