2-chloro-N-(4-hydroxypentyl)-4-nitrobenzamide

C12H15ClN2O4 — CID 107300065

IUPAC2-chloro-N-(4-hydroxypentyl)-4-nitrobenzamide
SMILESCC(O)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H15ClN2O4/c1-8(16)3-2-6-14-12(17)10-5-4-9(15(18)19)7-11(10)13/h4-5,7-8,16H,2-3,6H2,1H3,(H,14,17)
InChIKeyRYCONPMXUSNYME-UHFFFAOYSA-N
MW286.71 g/mol
LogP2.14
Rot. Bonds6

About 2-chloro-N-(4-hydroxypentyl)-4-nitrobenzamide

2-chloro-N-(4-hydroxypentyl)-4-nitrobenzamide (PubChem CID 107300065) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.71 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxypentyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxypentyl)-4-nitrobenzamide
PubChem CID107300065
Molecular FormulaC12H15ClN2O4
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Name2-chloro-N-(4-hydroxypentyl)-4-nitrobenzamide
SMILESCC(O)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H15ClN2O4/c1-8(16)3-2-6-14-12(17)10-5-4-9(15(18)19)7-11(10)13/h4-5,7-8,16H,2-3,6H2,1H3,(H,14,17)
InChIKeyRYCONPMXUSNYME-UHFFFAOYSA-N
XLogP2.14
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-chloro-N-(3-methylbutyl)-4-nitrobenzamide
CID 874406
N-(3-aminopropyl)-2-chloro-4-nitrobenzamide;hydrochloride
CID 119405869
2-chloro-N-(6-hydroxyhexyl)-4-nitrobenzamide
CID 103919226
2-chloro-N-[2-(methylamino)ethyl]-4-nitrobenzamide
CID 119501030
2-chloro-N-(3-hydroxy-4-methoxybutyl)-4-nitrobenzamide
CID 103877654
2-chloro-4-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 115577626
2-chloro-4-nitro-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7916963
2-chloro-N-(3,3-dimethylbutyl)-4-nitrobenzamide
CID 34710035
N-[2-(carbamoylamino)ethyl]-2-chloro-4-nitrobenzamide
CID 78993882
2-chloro-N-[3-[(2-chloro-5-nitrobenzoyl)amino]propyl]-5-nitrobenzamide
CID 4119729
2-chloro-N-(2-methylsulfanylpropyl)-4-nitrobenzamide
CID 115759396
3-chloro-N-(4-hydroxypentyl)-5-nitrobenzamide
CID 107300573

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxypentyl)-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-(4-hydroxypentyl)-4-nitrobenzamide (CID 107300065) is 2-chloro-N-(4-hydroxypentyl)-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxypentyl)-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(4-hydroxypentyl)-4-nitrobenzamide is CC(O)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-(4-hydroxypentyl)-4-nitrobenzamide?
The InChIKey is RYCONPMXUSNYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-8(16)3-2-6-14-12(17)10-5-4-9(15(18)19)7-11(10)13/h4-5,7-8,16H,2-3,6H2,1H3,(H,14,17).
What are the key properties of 2-chloro-N-(4-hydroxypentyl)-4-nitrobenzamide?
2-chloro-N-(4-hydroxypentyl)-4-nitrobenzamide has a molecular weight of 286.71 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxypentyl)-4-nitrobenzamide is sourced from PubChem (CID 107300065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).