2-chloro-4,5-difluoro-N-(2-phenylmethoxyethyl)benzamide

C16H14ClF2NO2 — CID 4642908

IUPAC2-chloro-4,5-difluoro-N-(2-phenylmethoxyethyl)benzamide
SMILESO=C(NCCOCc1ccccc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C16H14ClF2NO2/c17-13-9-15(19)14(18)8-12(13)16(21)20-6-7-22-10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,20,21)
InChIKeyAYGNXHGWLGOVPL-UHFFFAOYSA-N
MW325.74 g/mol
LogP3.56
Rot. Bonds6

About 2-chloro-4,5-difluoro-N-(2-phenylmethoxyethyl)benzamide

2-chloro-4,5-difluoro-N-(2-phenylmethoxyethyl)benzamide (PubChem CID 4642908) has the molecular formula C16H14ClF2NO2 and a molecular weight of 325.74 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(2-phenylmethoxyethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(2-phenylmethoxyethyl)benzamide
PubChem CID4642908
Molecular FormulaC16H14ClF2NO2
Molecular Weight325.74 g/mol
Exact Mass325.07
IUPAC Name2-chloro-4,5-difluoro-N-(2-phenylmethoxyethyl)benzamide
SMILESO=C(NCCOCc1ccccc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C16H14ClF2NO2/c17-13-9-15(19)14(18)8-12(13)16(21)20-6-7-22-10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,20,21)
InChIKeyAYGNXHGWLGOVPL-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.74
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4,5-difluoro-N-(2-phenylmethoxyethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(2-phenylmethoxyethyl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(2-phenylmethoxyethyl)benzamide (CID 4642908) is 2-chloro-4,5-difluoro-N-(2-phenylmethoxyethyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(2-phenylmethoxyethyl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(2-phenylmethoxyethyl)benzamide is O=C(NCCOCc1ccccc1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(2-phenylmethoxyethyl)benzamide?
The InChIKey is AYGNXHGWLGOVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO2/c17-13-9-15(19)14(18)8-12(13)16(21)20-6-7-22-10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,20,21).
What are the key properties of 2-chloro-4,5-difluoro-N-(2-phenylmethoxyethyl)benzamide?
2-chloro-4,5-difluoro-N-(2-phenylmethoxyethyl)benzamide has a molecular weight of 325.74 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(2-phenylmethoxyethyl)benzamide is sourced from PubChem (CID 4642908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).