N-(4-aminophenyl)-2,6-dichloro-N-methyl-3-nitrobenzamide

C14H11Cl2N3O3 — CID 140860131

IUPACN-(4-aminophenyl)-2,6-dichloro-N-methyl-3-nitrobenzamide
SMILESCN(C(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ccc(N)cc1
InChIInChI=1S/C14H11Cl2N3O3/c1-18(9-4-2-8(17)3-5-9)14(20)12-10(15)6-7-11(13(12)16)19(21)22/h2-7H,17H2,1H3
InChIKeyJEGHYDIJYCMIQE-UHFFFAOYSA-N
MW340.17 g/mol
LogP3.76
Rot. Bonds3

About N-(4-aminophenyl)-2,6-dichloro-N-methyl-3-nitrobenzamide

N-(4-aminophenyl)-2,6-dichloro-N-methyl-3-nitrobenzamide (PubChem CID 140860131) has the molecular formula C14H11Cl2N3O3 and a molecular weight of 340.17 g/mol. Its IUPAC name is N-(4-aminophenyl)-2,6-dichloro-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2,6-dichloro-N-methyl-3-nitrobenzamide
PubChem CID140860131
Molecular FormulaC14H11Cl2N3O3
Molecular Weight340.17 g/mol
Exact Mass339.02
IUPAC NameN-(4-aminophenyl)-2,6-dichloro-N-methyl-3-nitrobenzamide
SMILESCN(C(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ccc(N)cc1
InChIInChI=1S/C14H11Cl2N3O3/c1-18(9-4-2-8(17)3-5-9)14(20)12-10(15)6-7-11(13(12)16)19(21)22/h2-7H,17H2,1H3
InChIKeyJEGHYDIJYCMIQE-UHFFFAOYSA-N
XLogP3.76
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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

ethyl 2,6-dichloro-3-nitrobenzoate
CID 43448985
1-(2,6-dichloro-3-nitrophenyl)butan-1-one
CID 162147986
3-chloro-N-methyl-4-nitro-N-pyridin-4-ylbenzamide
CID 106934877
3-chloro-2-methyl-6-nitrobenzamide
CID 131072971
4-chloro-N-(4-hydroxyphenyl)-N-methyl-2-nitrobenzamide
CID 28889464
3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 28880822
3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide
CID 82776222
4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092609
1-(6-chloro-2-fluoro-3-nitrophenyl)ethanone
CID 171008037
1-(6-bromo-2-chloro-3-nitrophenyl)ethanone
CID 131490838
3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide
CID 62682016
5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide
CID 62001590

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2,6-dichloro-N-methyl-3-nitrobenzamide?
The IUPAC name of N-(4-aminophenyl)-2,6-dichloro-N-methyl-3-nitrobenzamide (CID 140860131) is N-(4-aminophenyl)-2,6-dichloro-N-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(4-aminophenyl)-2,6-dichloro-N-methyl-3-nitrobenzamide?
The canonical SMILES for N-(4-aminophenyl)-2,6-dichloro-N-methyl-3-nitrobenzamide is CN(C(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2,6-dichloro-N-methyl-3-nitrobenzamide?
The InChIKey is JEGHYDIJYCMIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O3/c1-18(9-4-2-8(17)3-5-9)14(20)12-10(15)6-7-11(13(12)16)19(21)22/h2-7H,17H2,1H3.
What are the key properties of N-(4-aminophenyl)-2,6-dichloro-N-methyl-3-nitrobenzamide?
N-(4-aminophenyl)-2,6-dichloro-N-methyl-3-nitrobenzamide has a molecular weight of 340.17 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2,6-dichloro-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 140860131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).