2-chloro-N-methyl-4-nitro-N-phenylbenzamide

C14H11ClN2O3 — CID 799115

IUPAC2-chloro-N-methyl-4-nitro-N-phenylbenzamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1
InChIInChI=1S/C14H11ClN2O3/c1-16(10-5-3-2-4-6-10)14(18)12-8-7-11(17(19)20)9-13(12)15/h2-9H,1H3
InChIKeyAFTORZVTKYKHCA-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.52
Rot. Bonds3

About 2-chloro-N-methyl-4-nitro-N-phenylbenzamide

2-chloro-N-methyl-4-nitro-N-phenylbenzamide (PubChem CID 799115) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 2-chloro-N-methyl-4-nitro-N-phenylbenzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-4-nitro-N-phenylbenzamide
PubChem CID799115
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name2-chloro-N-methyl-4-nitro-N-phenylbenzamide
SMILESCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1
InChIInChI=1S/C14H11ClN2O3/c1-16(10-5-3-2-4-6-10)14(18)12-8-7-11(17(19)20)9-13(12)15/h2-9H,1H3
InChIKeyAFTORZVTKYKHCA-UHFFFAOYSA-N
XLogP3.52
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 53.52
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

2-[(2-chloro-4-nitrobenzoyl)-methylamino]propanoic acid
CID 62627827
2-[carboxymethyl-(2-chloro-4-nitrobenzoyl)amino]acetic acid
CID 63651342
potassium 2-chloro-4-nitrobenzoic acid
CID 23673793
[2-(N-methylanilino)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2370377
N-methyl-6-nitro-2-oxo-N-phenylchromene-3-carboxamide
CID 4914940
2-chloro-N-methyl-N-(2-methylsulfanylethyl)-4-nitrobenzamide
CID 112697981
2-chloro-N,N-bis(2-hydroxyethyl)-4-nitrobenzamide
CID 60653170
5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide
CID 141401921
2-chloro-N-ethyl-N-(2-methylbutyl)-4-nitrobenzamide
CID 79480486
3-chloro-N-methyl-N-phenylpyridine-4-carboxamide
CID 66463019
2-chloro-N,N-bis(cyanomethyl)-4-nitrobenzamide
CID 796594
2-chloro-N-[2-[3-(N-methylanilino)propylcarbamoyl]phenyl]-4-nitrobenzamide
CID 29239514

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-4-nitro-N-phenylbenzamide?
The IUPAC name of 2-chloro-N-methyl-4-nitro-N-phenylbenzamide (CID 799115) is 2-chloro-N-methyl-4-nitro-N-phenylbenzamide.
What is the SMILES notation for 2-chloro-N-methyl-4-nitro-N-phenylbenzamide?
The canonical SMILES for 2-chloro-N-methyl-4-nitro-N-phenylbenzamide is CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-methyl-4-nitro-N-phenylbenzamide?
The InChIKey is AFTORZVTKYKHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-16(10-5-3-2-4-6-10)14(18)12-8-7-11(17(19)20)9-13(12)15/h2-9H,1H3.
What are the key properties of 2-chloro-N-methyl-4-nitro-N-phenylbenzamide?
2-chloro-N-methyl-4-nitro-N-phenylbenzamide has a molecular weight of 290.71 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-4-nitro-N-phenylbenzamide is sourced from PubChem (CID 799115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).