2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide

C14H18Cl2FNO — CID 106117476

IUPAC2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide
SMILESCCCC(CCCl)CNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H18Cl2FNO/c1-2-3-10(6-7-15)9-18-14(19)12-5-4-11(17)8-13(12)16/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyOKDLGVFWNCYOCE-UHFFFAOYSA-N
MW306.21 g/mol
LogP4.25
Rot. Bonds7

About 2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide

2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide (PubChem CID 106117476) has the molecular formula C14H18Cl2FNO and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide
PubChem CID106117476
Molecular FormulaC14H18Cl2FNO
Molecular Weight306.21 g/mol
Exact Mass305.07
IUPAC Name2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide
SMILESCCCC(CCCl)CNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H18Cl2FNO/c1-2-3-10(6-7-15)9-18-14(19)12-5-4-11(17)8-13(12)16/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyOKDLGVFWNCYOCE-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide
CID 114145710
2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 113273748
4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide
CID 106117571
2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide
CID 106509848
N-[2-(2-chloroethyl)pentyl]-2-fluoro-4-nitrobenzamide
CID 106117689
N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide
CID 106117548
2-bromo-N-[2-(2-bromoethyl)pentyl]-5-fluorobenzamide
CID 114145829
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702
N-[2-(2-chloroethyl)pentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 114145698
4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide
CID 106117750
N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide
CID 106117621
N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide
CID 114145694

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide (CID 106117476) is 2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide is CCCC(CCCl)CNC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide?
The InChIKey is OKDLGVFWNCYOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FNO/c1-2-3-10(6-7-15)9-18-14(19)12-5-4-11(17)8-13(12)16/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide?
2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide has a molecular weight of 306.21 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide is sourced from PubChem (CID 106117476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).