2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide

C14H12ClN3O3 — CID 43564505

IUPAC2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide
SMILESCN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H12ClN3O3/c1-17(9-10-4-6-16-7-5-10)14(19)12-8-11(18(20)21)2-3-13(12)15/h2-8H,9H2,1H3
InChIKeyGWYRSGAHCIZUFO-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.92
Rot. Bonds4

About 2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide

2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 43564505) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide
PubChem CID43564505
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide
SMILESCN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H12ClN3O3/c1-17(9-10-4-6-16-7-5-10)14(19)12-8-11(18(20)21)2-3-13(12)15/h2-8H,9H2,1H3
InChIKeyGWYRSGAHCIZUFO-UHFFFAOYSA-N
XLogP2.92
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-5-nitrobenzamide
CID 78801742
2-chloro-N-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 43396643
2-chloro-N-ethyl-N-methyl-5-nitrobenzamide
CID 43243488
2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide
CID 46404947
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-4-nitrobenzamide
CID 8857208
N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide
CID 43377488
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide
CID 63865891
N-[(2-chloro-5-nitrophenyl)methyl]-N,2-dimethyl-3,5-dinitrobenzamide
CID 78825891
N-[(6-chloro-3-pyridinyl)methyl]-2-iodo-N-methyl-5-nitrobenzamide
CID 78872418
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447
N-[(2-chloro-5-nitrophenyl)methyl]-2-(2-methoxyethoxy)-N-methylpyridine-3-carboxamide
CID 47069912
4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47039296

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide (CID 43564505) is 2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide is CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is GWYRSGAHCIZUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-17(9-10-4-6-16-7-5-10)14(19)12-8-11(18(20)21)2-3-13(12)15/h2-8H,9H2,1H3.
What are the key properties of 2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide?
2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 305.72 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 43564505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).