N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide

C15H21ClFNO2 — CID 106117497

IUPACN-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide
SMILESCCCC(CCCl)CNC(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H21ClFNO2/c1-3-4-11(7-8-16)10-18-15(19)12-5-6-13(17)14(9-12)20-2/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,18,19)
InChIKeyTURPLFJSKYKDRZ-UHFFFAOYSA-N
MW301.79 g/mol
LogP3.61
Rot. Bonds8

About N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide

N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide (PubChem CID 106117497) has the molecular formula C15H21ClFNO2 and a molecular weight of 301.79 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide
PubChem CID106117497
Molecular FormulaC15H21ClFNO2
Molecular Weight301.79 g/mol
Exact Mass301.12
IUPAC NameN-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide
SMILESCCCC(CCCl)CNC(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H21ClFNO2/c1-3-4-11(7-8-16)10-18-15(19)12-5-6-13(17)14(9-12)20-2/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,18,19)
InChIKeyTURPLFJSKYKDRZ-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide
CID 106117571
N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide
CID 106117686
3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 106108177
methyl 2-bromo-3-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 103492375
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
CID 106117633
N-(4-chloro-2-ethylbutyl)-3-methoxy-4-nitrobenzamide
CID 104784809
3-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzamide
CID 103729015
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
CID 81002545
4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide
CID 106117750
4-chloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 114306518
N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 106117560
4-bromo-N-[2-(2-chloroethyl)pentyl]-2-fluorobenzamide
CID 114145710

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide (CID 106117497) is N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide is CCCC(CCCl)CNC(=O)c1ccc(F)c(OC)c1.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide?
The InChIKey is TURPLFJSKYKDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO2/c1-3-4-11(7-8-16)10-18-15(19)12-5-6-13(17)14(9-12)20-2/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide?
N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide has a molecular weight of 301.79 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 106117497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).