5-chloro-N-methyl-2-nitro-N-propylbenzamide

C11H13ClN2O3 — CID 43271301

IUPAC5-chloro-N-methyl-2-nitro-N-propylbenzamide
SMILESCCCN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H13ClN2O3/c1-3-6-13(2)11(15)9-7-8(12)4-5-10(9)14(16)17/h4-5,7H,3,6H2,1-2H3
InChIKeyGPEICEQUCXIITP-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.73
Rot. Bonds4

About 5-chloro-N-methyl-2-nitro-N-propylbenzamide

5-chloro-N-methyl-2-nitro-N-propylbenzamide (PubChem CID 43271301) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-nitro-N-propylbenzamide.

Molecular Properties

Compound Name5-chloro-N-methyl-2-nitro-N-propylbenzamide
PubChem CID43271301
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name5-chloro-N-methyl-2-nitro-N-propylbenzamide
SMILESCCCN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H13ClN2O3/c1-3-6-13(2)11(15)9-7-8(12)4-5-10(9)14(16)17/h4-5,7H,3,6H2,1-2H3
InChIKeyGPEICEQUCXIITP-UHFFFAOYSA-N
XLogP2.73
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.73
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

5-chloro-N-methyl-N-(3-methylbutyl)-2-nitrobenzamide
CID 60741147
N-(3-amino-4-methylpentyl)-5-chloro-N-methyl-2-nitrobenzamide
CID 81487192
5-chloro-N-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide
CID 63965618
N-butan-2-yl-5-chloro-N-methyl-2-nitrobenzamide
CID 43243558
2-chloro-N-methyl-3-nitro-N-propylbenzamide
CID 112576268
5-chloro-N,N-dimethyl-2-nitrobenzamide;5-chloro-2-nitrobenzoic acid
CID 160700642
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-2-nitrobenzamide
CID 60785453
3-[(4-chloro-2-nitrobenzoyl)-methylamino]propanoic acid
CID 60989625
N-butan-2-yl-5-chloro-N-ethyl-2-nitrobenzamide
CID 43274565
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536
5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide
CID 62641303
N-(2-bromo-3-methoxypropyl)-5-chloro-N-methyl-2-nitrobenzamide
CID 80671238

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-nitro-N-propylbenzamide?
The IUPAC name of 5-chloro-N-methyl-2-nitro-N-propylbenzamide (CID 43271301) is 5-chloro-N-methyl-2-nitro-N-propylbenzamide.
What is the SMILES notation for 5-chloro-N-methyl-2-nitro-N-propylbenzamide?
The canonical SMILES for 5-chloro-N-methyl-2-nitro-N-propylbenzamide is CCCN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-methyl-2-nitro-N-propylbenzamide?
The InChIKey is GPEICEQUCXIITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-3-6-13(2)11(15)9-7-8(12)4-5-10(9)14(16)17/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-2-nitro-N-propylbenzamide?
5-chloro-N-methyl-2-nitro-N-propylbenzamide has a molecular weight of 256.69 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-nitro-N-propylbenzamide is sourced from PubChem (CID 43271301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).