4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide

C14H18Cl2FNO — CID 106117571

IUPAC4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide
SMILESCCCC(CCCl)CNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H18Cl2FNO/c1-2-3-10(6-7-15)9-18-14(19)11-4-5-12(16)13(17)8-11/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyYOIMNUIERPBXQX-UHFFFAOYSA-N
MW306.21 g/mol
LogP4.25
Rot. Bonds7

About 4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide

4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide (PubChem CID 106117571) has the molecular formula C14H18Cl2FNO and a molecular weight of 306.21 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide
PubChem CID106117571
Molecular FormulaC14H18Cl2FNO
Molecular Weight306.21 g/mol
Exact Mass305.07
IUPAC Name4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide
SMILESCCCC(CCCl)CNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H18Cl2FNO/c1-2-3-10(6-7-15)9-18-14(19)11-4-5-12(16)13(17)8-11/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyYOIMNUIERPBXQX-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

N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide
CID 106117497
3-[[(4-chloro-3-fluorobenzoyl)amino]methyl]pentanoic acid
CID 114025747
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide
CID 106117476
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
CID 106117633
N-(2-bromobutyl)-4-chloro-3-fluorobenzamide
CID 107994206
N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide
CID 106117686
4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103876642
4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 103876641
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide?
The IUPAC name of 4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide (CID 106117571) is 4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide is CCCC(CCCl)CNC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide?
The InChIKey is YOIMNUIERPBXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FNO/c1-2-3-10(6-7-15)9-18-14(19)11-4-5-12(16)13(17)8-11/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,18,19).
What are the key properties of 4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide?
4-chloro-N-[2-(2-chloroethyl)pentyl]-3-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 4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide is sourced from PubChem (CID 106117571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).