5-chloro-N-decyl-2-nitrobenzamide

C17H25ClN2O3 — CID 4113586

IUPAC5-chloro-N-decyl-2-nitrobenzamide
SMILESCCCCCCCCCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H25ClN2O3/c1-2-3-4-5-6-7-8-9-12-19-17(21)15-13-14(18)10-11-16(15)20(22)23/h10-11,13H,2-9,12H2,1H3,(H,19,21)
InChIKeyYTLAONQEABTMMA-UHFFFAOYSA-N
MW340.85 g/mol
LogP5.12
Rot. Bonds11

About 5-chloro-N-decyl-2-nitrobenzamide

5-chloro-N-decyl-2-nitrobenzamide (PubChem CID 4113586) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 5-chloro-N-decyl-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-decyl-2-nitrobenzamide
PubChem CID4113586
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name5-chloro-N-decyl-2-nitrobenzamide
SMILESCCCCCCCCCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H25ClN2O3/c1-2-3-4-5-6-7-8-9-12-19-17(21)15-13-14(18)10-11-16(15)20(22)23/h10-11,13H,2-9,12H2,1H3,(H,19,21)
InChIKeyYTLAONQEABTMMA-UHFFFAOYSA-N
XLogP5.12
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.85
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

5-chloro-N-(4-methylsulfanylbutyl)-2-nitrobenzamide
CID 115635860
5-fluoro-N-hexyl-2-nitrobenzamide
CID 61041520
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536
5-chloro-N-[2-(methylamino)ethyl]-2-nitrobenzamide
CID 55101050
5-hydrazinyl-2-nitro-N-pentylbenzamide
CID 55052453
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
5-[(5-chloro-2-nitrobenzoyl)amino]-2-methylpentanoic acid
CID 104682434
5-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-nitrobenzamide
CID 60526996
5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide
CID 62641303
5-chloro-N-(3-chloropentyl)-2-nitrobenzamide
CID 113497920
N-(5-bromopentyl)-4-chloro-2-nitrobenzamide
CID 107322126
3-chloro-N-hexyl-4-nitrobenzamide
CID 82781291

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-decyl-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-decyl-2-nitrobenzamide (CID 4113586) is 5-chloro-N-decyl-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-decyl-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-decyl-2-nitrobenzamide is CCCCCCCCCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-decyl-2-nitrobenzamide?
The InChIKey is YTLAONQEABTMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-2-3-4-5-6-7-8-9-12-19-17(21)15-13-14(18)10-11-16(15)20(22)23/h10-11,13H,2-9,12H2,1H3,(H,19,21).
What are the key properties of 5-chloro-N-decyl-2-nitrobenzamide?
5-chloro-N-decyl-2-nitrobenzamide has a molecular weight of 340.85 g/mol, XLogP of 5.12, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-decyl-2-nitrobenzamide is sourced from PubChem (CID 4113586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).