N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide

C14H10Cl2FNO — CID 80717854

IUPACN-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1F
InChIInChI=1S/C14H10Cl2FNO/c1-8-3-2-4-10(13(8)17)14(19)18-12-7-9(15)5-6-11(12)16/h2-7H,1H3,(H,18,19)
InChIKeyISNBODFTGAJTAW-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.69
Rot. Bonds2

About N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide

N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide (PubChem CID 80717854) has the molecular formula C14H10Cl2FNO and a molecular weight of 298.14 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide
PubChem CID80717854
Molecular FormulaC14H10Cl2FNO
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC NameN-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1F
InChIInChI=1S/C14H10Cl2FNO/c1-8-3-2-4-10(13(8)17)14(19)18-12-7-9(15)5-6-11(12)16/h2-7H,1H3,(H,18,19)
InChIKeyISNBODFTGAJTAW-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 80711881
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide
CID 82884561
N-(4-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80712464
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 104667416
N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide
CID 848431
3-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 106547569
methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate
CID 108785394
N-(2-chloro-4-cyanophenyl)-2-fluoro-3-methylbenzamide
CID 103811028
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 81481515
N-(2-chloro-4-methylphenyl)-2,3-difluorobenzamide
CID 62650999
N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide
CID 103766879

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide (CID 80717854) is N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1F.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide?
The InChIKey is ISNBODFTGAJTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO/c1-8-3-2-4-10(13(8)17)14(19)18-12-7-9(15)5-6-11(12)16/h2-7H,1H3,(H,18,19).
What are the key properties of N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide?
N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide has a molecular weight of 298.14 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80717854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).