2-chloro-N-(5-chloropentyl)-3-fluorobenzamide

C12H14Cl2FNO — CID 107321260

IUPAC2-chloro-N-(5-chloropentyl)-3-fluorobenzamide
SMILESO=C(NCCCCCCl)c1cccc(F)c1Cl
InChIInChI=1S/C12H14Cl2FNO/c13-7-2-1-3-8-16-12(17)9-5-4-6-10(15)11(9)14/h4-6H,1-3,7-8H2,(H,16,17)
InChIKeyRLVRJIMVISBBRU-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.62
Rot. Bonds6

About 2-chloro-N-(5-chloropentyl)-3-fluorobenzamide

2-chloro-N-(5-chloropentyl)-3-fluorobenzamide (PubChem CID 107321260) has the molecular formula C12H14Cl2FNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-chloro-N-(5-chloropentyl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloropentyl)-3-fluorobenzamide
PubChem CID107321260
Molecular FormulaC12H14Cl2FNO
Molecular Weight278.15 g/mol
Exact Mass277.04
IUPAC Name2-chloro-N-(5-chloropentyl)-3-fluorobenzamide
SMILESO=C(NCCCCCCl)c1cccc(F)c1Cl
InChIInChI=1S/C12H14Cl2FNO/c13-7-2-1-3-8-16-12(17)9-5-4-6-10(15)11(9)14/h4-6H,1-3,7-8H2,(H,16,17)
InChIKeyRLVRJIMVISBBRU-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid
CID 81362822
2-chloro-3-fluoro-N-hex-5-ynylbenzamide
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N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107321513
2-chloro-3-fluoro-N-pent-4-ynylbenzamide
CID 103708843
2-chloro-N-(4-chlorobutyl)benzamide
CID 106845467
N-(4-chlorobutyl)-2,3,4-trifluorobenzamide
CID 106845363
N-[3-(2-bromoethoxy)propyl]-2-chloro-3-fluorobenzamide
CID 114171447
N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide
CID 107321246
N-(6-chlorohexyl)-2-(2,3-difluorophenyl)acetamide
CID 107846727
4-bromo-N-(5-chloropentyl)-2-fluorobenzamide
CID 107321212
N-(5-chloropentyl)-2-fluoro-4-methylbenzamide
CID 107320953
2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 81454510

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloropentyl)-3-fluorobenzamide?
The IUPAC name of 2-chloro-N-(5-chloropentyl)-3-fluorobenzamide (CID 107321260) is 2-chloro-N-(5-chloropentyl)-3-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(5-chloropentyl)-3-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(5-chloropentyl)-3-fluorobenzamide is O=C(NCCCCCCl)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-N-(5-chloropentyl)-3-fluorobenzamide?
The InChIKey is RLVRJIMVISBBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FNO/c13-7-2-1-3-8-16-12(17)9-5-4-6-10(15)11(9)14/h4-6H,1-3,7-8H2,(H,16,17).
What are the key properties of 2-chloro-N-(5-chloropentyl)-3-fluorobenzamide?
2-chloro-N-(5-chloropentyl)-3-fluorobenzamide has a molecular weight of 278.15 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-chloropentyl)-3-fluorobenzamide is sourced from PubChem (CID 107321260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).