N-(3-chloro-2-methylphenyl)-3-(difluoromethoxy)benzamide

C15H12ClF2NO2 — CID 843391

IUPACN-(3-chloro-2-methylphenyl)-3-(difluoromethoxy)benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H12ClF2NO2/c1-9-12(16)6-3-7-13(9)19-14(20)10-4-2-5-11(8-10)21-15(17)18/h2-8,15H,1H3,(H,19,20)
InChIKeyFLZZBOLCTHTKJV-UHFFFAOYSA-N
MW311.72 g/mol
LogP4.50
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-3-(difluoromethoxy)benzamide

N-(3-chloro-2-methylphenyl)-3-(difluoromethoxy)benzamide (PubChem CID 843391) has the molecular formula C15H12ClF2NO2 and a molecular weight of 311.72 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(difluoromethoxy)benzamide
PubChem CID843391
Molecular FormulaC15H12ClF2NO2
Molecular Weight311.72 g/mol
Exact Mass311.05
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(difluoromethoxy)benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H12ClF2NO2/c1-9-12(16)6-3-7-13(9)19-14(20)10-4-2-5-11(8-10)21-15(17)18/h2-8,15H,1H3,(H,19,20)
InChIKeyFLZZBOLCTHTKJV-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-N-(4-methoxyphenyl)benzamide
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CID 532855
8-chloro-2-methoxy-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
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3-methoxy-N-(4-methylphenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(difluoromethoxy)benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(difluoromethoxy)benzamide (CID 843391) is N-(3-chloro-2-methylphenyl)-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(difluoromethoxy)benzamide is Cc1c(Cl)cccc1NC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(difluoromethoxy)benzamide?
The InChIKey is FLZZBOLCTHTKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO2/c1-9-12(16)6-3-7-13(9)19-14(20)10-4-2-5-11(8-10)21-15(17)18/h2-8,15H,1H3,(H,19,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(difluoromethoxy)benzamide?
N-(3-chloro-2-methylphenyl)-3-(difluoromethoxy)benzamide has a molecular weight of 311.72 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 843391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).