2,3-dichloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide

C14H18Cl2N2O3 — CID 107188279

IUPAC2,3-dichloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
SMILESCC(C)CC(C)N(C)C(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-8(2)5-9(3)17(4)14(19)11-6-10(18(20)21)7-12(15)13(11)16/h6-9H,5H2,1-4H3
InChIKeyKOZMYXMLPYJEER-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.41
Rot. Bonds5

About 2,3-dichloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide

2,3-dichloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide (PubChem CID 107188279) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 2,3-dichloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide.

Molecular Properties

Compound Name2,3-dichloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
PubChem CID107188279
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name2,3-dichloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
SMILESCC(C)CC(C)N(C)C(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-8(2)5-9(3)17(4)14(19)11-6-10(18(20)21)7-12(15)13(11)16/h6-9H,5H2,1-4H3
InChIKeyKOZMYXMLPYJEER-UHFFFAOYSA-N
XLogP4.41
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.41
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

N-butan-2-yl-2,3-dichloro-N-methyl-5-nitrobenzamide
CID 107187433
2-amino-3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
CID 107200357
2,3-dichloro-N-methyl-5-nitro-N-pentan-3-ylbenzamide
CID 107187529
2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
CID 62244026
2,3-dichloro-N-(2-hydroxy-4-methylpentyl)-5-nitrobenzamide
CID 107189674
2,3-dichloro-N-methyl-5-nitro-N-pentylbenzamide
CID 107187436
N-(2-amino-2-oxoethyl)-2,3-dichloro-5-nitro-N-propan-2-ylbenzamide
CID 107187707
2,3-dichloro-N-methyl-5-nitro-N-prop-2-enylbenzamide
CID 107189270
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
2,3-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide
CID 107189508
2,3-dichloro-N-(cyclopropylmethyl)-N-ethyl-5-nitrobenzamide
CID 107188914

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide?
The IUPAC name of 2,3-dichloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide (CID 107188279) is 2,3-dichloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide.
What is the SMILES notation for 2,3-dichloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide?
The canonical SMILES for 2,3-dichloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide is CC(C)CC(C)N(C)C(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide?
The InChIKey is KOZMYXMLPYJEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-8(2)5-9(3)17(4)14(19)11-6-10(18(20)21)7-12(15)13(11)16/h6-9H,5H2,1-4H3.
What are the key properties of 2,3-dichloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide?
2,3-dichloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide has a molecular weight of 333.22 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide is sourced from PubChem (CID 107188279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).