2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide

C13H16ClF2NO3 — CID 134029639

IUPAC2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
SMILESCOCCOCCCNC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H16ClF2NO3/c1-19-5-6-20-4-2-3-17-13(18)9-7-11(15)12(16)8-10(9)14/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyRUKDPCPTGPXZOG-UHFFFAOYSA-N
MW307.72 g/mol
LogP2.40
Rot. Bonds8

About 2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide

2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide (PubChem CID 134029639) has the molecular formula C13H16ClF2NO3 and a molecular weight of 307.72 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
PubChem CID134029639
Molecular FormulaC13H16ClF2NO3
Molecular Weight307.72 g/mol
Exact Mass307.08
IUPAC Name2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
SMILESCOCCOCCCNC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H16ClF2NO3/c1-19-5-6-20-4-2-3-17-13(18)9-7-11(15)12(16)8-10(9)14/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyRUKDPCPTGPXZOG-UHFFFAOYSA-N
XLogP2.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.72
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride
CID 119407529
2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699924
2-chloro-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65375166
2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 3107152
2-fluoro-4-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 104929735
2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 60668712
2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
CID 60636009
2-chloro-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzamide
CID 117044380
2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 51072684
N-(3-butoxypropyl)-2-chloro-5-hydroxybenzamide
CID 106502163
2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(methylsulfamoyl)benzamide
CID 55407905
3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide
CID 110764723

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide (CID 134029639) is 2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide is COCCOCCCNC(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide?
The InChIKey is RUKDPCPTGPXZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO3/c1-19-5-6-20-4-2-3-17-13(18)9-7-11(15)12(16)8-10(9)14/h7-8H,2-6H2,1H3,(H,17,18).
What are the key properties of 2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide?
2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide has a molecular weight of 307.72 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[3-(2-methoxyethoxy)propyl]benzamide is sourced from PubChem (CID 134029639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).