N-(2-chloro-5-nitrophenyl)pentanamide

C11H13ClN2O3 — CID 2275761

IUPACN-(2-chloro-5-nitrophenyl)pentanamide
SMILESCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C11H13ClN2O3/c1-2-3-4-11(15)13-10-7-8(14(16)17)5-6-9(10)12/h5-7H,2-4H2,1H3,(H,13,15)
InChIKeyBBQFZSJUBHFDDA-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.38
Rot. Bonds5

About N-(2-chloro-5-nitrophenyl)pentanamide

N-(2-chloro-5-nitrophenyl)pentanamide (PubChem CID 2275761) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)pentanamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)pentanamide
PubChem CID2275761
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC NameN-(2-chloro-5-nitrophenyl)pentanamide
SMILESCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C11H13ClN2O3/c1-2-3-4-11(15)13-10-7-8(14(16)17)5-6-9(10)12/h5-7H,2-4H2,1H3,(H,13,15)
InChIKeyBBQFZSJUBHFDDA-UHFFFAOYSA-N
XLogP3.38
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.38
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)pentanamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)pentanamide (CID 2275761) is N-(2-chloro-5-nitrophenyl)pentanamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)pentanamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)pentanamide is CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)pentanamide?
The InChIKey is BBQFZSJUBHFDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-2-3-4-11(15)13-10-7-8(14(16)17)5-6-9(10)12/h5-7H,2-4H2,1H3,(H,13,15).
What are the key properties of N-(2-chloro-5-nitrophenyl)pentanamide?
N-(2-chloro-5-nitrophenyl)pentanamide has a molecular weight of 256.69 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)pentanamide is sourced from PubChem (CID 2275761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).