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

C13H17ClFNO — CID 4055752

IUPACN-(4-chloro-2-fluorophenyl)heptanamide
SMILESCCCCCCC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFNO/c1-2-3-4-5-6-13(17)16-12-8-7-10(14)9-11(12)15/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyUVBDNTYCCCKNDL-UHFFFAOYSA-N
MW257.74 g/mol
LogP4.39
Rot. Bonds6

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

N-(4-chloro-2-fluorophenyl)heptanamide (PubChem CID 4055752) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)heptanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)heptanamide
PubChem CID4055752
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC NameN-(4-chloro-2-fluorophenyl)heptanamide
SMILESCCCCCCC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFNO/c1-2-3-4-5-6-13(17)16-12-8-7-10(14)9-11(12)15/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyUVBDNTYCCCKNDL-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-fluorophenyl)dodecanamide
CID 4598315
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-(4-amino-2-fluorophenyl)heptanamide
CID 28691330
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide
CID 60802780
N-(2-fluoro-4-sulfamoylphenyl)octanamide
CID 43246665
N-(2-chloro-4-hydroxyphenyl)nonanamide
CID 65427497
N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide
CID 47148084
N-(2-fluorophenyl)hexanamide
CID 3481165
N-(4-chloro-2-fluorophenyl)-4-hydroxypentanamide
CID 79191552

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)heptanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)heptanamide (CID 4055752) is N-(4-chloro-2-fluorophenyl)heptanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)heptanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)heptanamide is CCCCCCC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)heptanamide?
The InChIKey is UVBDNTYCCCKNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-2-3-4-5-6-13(17)16-12-8-7-10(14)9-11(12)15/h7-9H,2-6H2,1H3,(H,16,17).
What are the key properties of N-(4-chloro-2-fluorophenyl)heptanamide?
N-(4-chloro-2-fluorophenyl)heptanamide has a molecular weight of 257.74 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)heptanamide is sourced from PubChem (CID 4055752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).