N-(4-chloropentyl)-2,3,4-trifluorobenzamide

C12H13ClF3NO — CID 106129404

IUPACN-(4-chloropentyl)-2,3,4-trifluorobenzamide
SMILESCC(Cl)CCCNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H13ClF3NO/c1-7(13)3-2-6-17-12(18)8-4-5-9(14)11(16)10(8)15/h4-5,7H,2-3,6H2,1H3,(H,17,18)
InChIKeyHPDHSJSUXSWBSR-UHFFFAOYSA-N
MW279.69 g/mol
LogP3.24
Rot. Bonds5

About N-(4-chloropentyl)-2,3,4-trifluorobenzamide

N-(4-chloropentyl)-2,3,4-trifluorobenzamide (PubChem CID 106129404) has the molecular formula C12H13ClF3NO and a molecular weight of 279.69 g/mol. Its IUPAC name is N-(4-chloropentyl)-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-2,3,4-trifluorobenzamide
PubChem CID106129404
Molecular FormulaC12H13ClF3NO
Molecular Weight279.69 g/mol
Exact Mass279.06
IUPAC NameN-(4-chloropentyl)-2,3,4-trifluorobenzamide
SMILESCC(Cl)CCCNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H13ClF3NO/c1-7(13)3-2-6-17-12(18)8-4-5-9(14)11(16)10(8)15/h4-5,7H,2-3,6H2,1H3,(H,17,18)
InChIKeyHPDHSJSUXSWBSR-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.24
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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorobutyl)-2,3,4-trifluorobenzamide
CID 106845363
2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide
CID 108797326
N-(4-bromobutyl)-2,3,4-trifluorobenzamide
CID 106845799
N-(3-chlorobutyl)-2,6-difluoro-3-methylbenzamide
CID 82818845
N-(4-cyanobutyl)-2,3,4-trifluorobenzamide
CID 79749440
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872
2,3,4-trifluoro-N-(6-iodohexyl)benzamide
CID 107848024
N-(4-chloropentyl)-2-iodobenzamide
CID 106129201
4-bromo-N-(4-chloropentyl)-2-methylbenzamide
CID 106129866
N-(4-chloropentyl)-2-(trifluoromethyl)benzamide
CID 106129608
N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide
CID 106153058

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-2,3,4-trifluorobenzamide?
The IUPAC name of N-(4-chloropentyl)-2,3,4-trifluorobenzamide (CID 106129404) is N-(4-chloropentyl)-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-(4-chloropentyl)-2,3,4-trifluorobenzamide?
The canonical SMILES for N-(4-chloropentyl)-2,3,4-trifluorobenzamide is CC(Cl)CCCNC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(4-chloropentyl)-2,3,4-trifluorobenzamide?
The InChIKey is HPDHSJSUXSWBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO/c1-7(13)3-2-6-17-12(18)8-4-5-9(14)11(16)10(8)15/h4-5,7H,2-3,6H2,1H3,(H,17,18).
What are the key properties of N-(4-chloropentyl)-2,3,4-trifluorobenzamide?
N-(4-chloropentyl)-2,3,4-trifluorobenzamide has a molecular weight of 279.69 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-2,3,4-trifluorobenzamide is sourced from PubChem (CID 106129404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).