4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide

C14H17BrClF2NO — CID 106117750

IUPAC4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide
SMILESCCCC(CCCl)CNC(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H17BrClF2NO/c1-2-3-9(4-5-16)8-19-14(20)13-11(17)6-10(15)7-12(13)18/h6-7,9H,2-5,8H2,1H3,(H,19,20)
InChIKeyHSZPKIVMQHVJKQ-UHFFFAOYSA-N
MW368.65 g/mol
LogP4.50
Rot. Bonds7

About 4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide

4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide (PubChem CID 106117750) has the molecular formula C14H17BrClF2NO and a molecular weight of 368.65 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide
PubChem CID106117750
Molecular FormulaC14H17BrClF2NO
Molecular Weight368.65 g/mol
Exact Mass367.02
IUPAC Name4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide
SMILESCCCC(CCCl)CNC(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H17BrClF2NO/c1-2-3-9(4-5-16)8-19-14(20)13-11(17)6-10(15)7-12(13)18/h6-7,9H,2-5,8H2,1H3,(H,19,20)
InChIKeyHSZPKIVMQHVJKQ-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.65
LogP ≤ 54.50
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
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
CID 106117633
4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide
CID 106117571
4-bromo-N-(1-chloropentan-3-yl)-2,6-difluorobenzamide
CID 113496332
N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide
CID 106117950
4,5-dibromo-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide
CID 106117550
2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide
CID 106117476
N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide
CID 106117497
3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide
CID 114145772
N-[2-(2-chloroethyl)pentyl]-2-fluoro-4-nitrobenzamide
CID 106117689
4-bromo-N-(2-bromo-2-cyclopropylethyl)-2,6-difluorobenzamide
CID 114315907
2-bromo-6-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103747776

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide?
The IUPAC name of 4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide (CID 106117750) is 4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide.
What is the SMILES notation for 4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide?
The canonical SMILES for 4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide is CCCC(CCCl)CNC(=O)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide?
The InChIKey is HSZPKIVMQHVJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClF2NO/c1-2-3-9(4-5-16)8-19-14(20)13-11(17)6-10(15)7-12(13)18/h6-7,9H,2-5,8H2,1H3,(H,19,20).
What are the key properties of 4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide?
4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide has a molecular weight of 368.65 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-chloroethyl)pentyl]-2,6-difluorobenzamide is sourced from PubChem (CID 106117750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).