N-(2-chloro-4-nitrophenyl)heptanamide

C13H17ClN2O3 — CID 3321854

IUPACN-(2-chloro-4-nitrophenyl)heptanamide
SMILESCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-2-3-4-5-6-13(17)15-12-8-7-10(16(18)19)9-11(12)14/h7-9H,2-6H2,1H3,(H,15,17)
InChIKeyVPFOJHICXCLCQH-UHFFFAOYSA-N
MW284.74 g/mol
LogP4.16
Rot. Bonds7

About N-(2-chloro-4-nitrophenyl)heptanamide

N-(2-chloro-4-nitrophenyl)heptanamide (PubChem CID 3321854) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)heptanamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)heptanamide
PubChem CID3321854
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC NameN-(2-chloro-4-nitrophenyl)heptanamide
SMILESCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-2-3-4-5-6-13(17)15-12-8-7-10(16(18)19)9-11(12)14/h7-9H,2-6H2,1H3,(H,15,17)
InChIKeyVPFOJHICXCLCQH-UHFFFAOYSA-N
XLogP4.16
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 54.16
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

N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide
CID 79200065
N-(2-methoxy-4-nitrophenyl)octadecanamide
CID 108745127
N-(2-methoxy-4-nitrophenyl)undecanamide
CID 4164516
2-(heptanoylamino)-4-nitrobenzoic acid
CID 63110783
N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide
CID 79200154
N-(2-chloro-4-hydroxyphenyl)nonanamide
CID 65427497
N-[(2-chloro-5-nitrophenyl)carbamothioyl]dodecanamide
CID 3265866
N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide
CID 43218215
N-(5-nitro-2-propoxyphenyl)decanamide
CID 23276615
N-(4-nitrophenyl)hexadecanamide
CID 14087849
N-(4-nitrophenyl)tridecanamide
CID 86103066
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)heptanamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)heptanamide (CID 3321854) is N-(2-chloro-4-nitrophenyl)heptanamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)heptanamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)heptanamide is CCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)heptanamide?
The InChIKey is VPFOJHICXCLCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-2-3-4-5-6-13(17)15-12-8-7-10(16(18)19)9-11(12)14/h7-9H,2-6H2,1H3,(H,15,17).
What are the key properties of N-(2-chloro-4-nitrophenyl)heptanamide?
N-(2-chloro-4-nitrophenyl)heptanamide has a molecular weight of 284.74 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)heptanamide is sourced from PubChem (CID 3321854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).