2-chloro-4,5-difluoro-N-(2-propan-2-yloxyphenyl)benzamide

C16H14ClF2NO2 — CID 600364

IUPAC2-chloro-4,5-difluoro-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C16H14ClF2NO2/c1-9(2)22-15-6-4-3-5-14(15)20-16(21)10-7-12(18)13(19)8-11(10)17/h3-9H,1-2H3,(H,20,21)
InChIKeyUSNHYHYWWQDOAV-UHFFFAOYSA-N
MW325.74 g/mol
LogP4.66
Rot. Bonds4

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

2-chloro-4,5-difluoro-N-(2-propan-2-yloxyphenyl)benzamide (PubChem CID 600364) 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-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(2-propan-2-yloxyphenyl)benzamide
PubChem CID600364
Molecular FormulaC16H14ClF2NO2
Molecular Weight325.74 g/mol
Exact Mass325.07
IUPAC Name2-chloro-4,5-difluoro-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C16H14ClF2NO2/c1-9(2)22-15-6-4-3-5-14(15)20-16(21)10-7-12(18)13(19)8-11(10)17/h3-9H,1-2H3,(H,20,21)
InChIKeyUSNHYHYWWQDOAV-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.74
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(2-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(2-propan-2-yloxyphenyl)benzamide (CID 600364) is 2-chloro-4,5-difluoro-N-(2-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(2-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(2-propan-2-yloxyphenyl)benzamide is CC(C)Oc1ccccc1NC(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(2-propan-2-yloxyphenyl)benzamide?
The InChIKey is USNHYHYWWQDOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO2/c1-9(2)22-15-6-4-3-5-14(15)20-16(21)10-7-12(18)13(19)8-11(10)17/h3-9H,1-2H3,(H,20,21).
What are the key properties of 2-chloro-4,5-difluoro-N-(2-propan-2-yloxyphenyl)benzamide?
2-chloro-4,5-difluoro-N-(2-propan-2-yloxyphenyl)benzamide has a molecular weight of 325.74 g/mol, XLogP of 4.66, 4 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-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 600364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).