N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide

C16H16FNO — CID 80718870

IUPACN-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
SMILESCCc1cccc(NC(=O)c2cccc(C)c2F)c1
InChIInChI=1S/C16H16FNO/c1-3-12-7-5-8-13(10-12)18-16(19)14-9-4-6-11(2)15(14)17/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyKGOWQPREXVDVMR-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.95
Rot. Bonds3

About N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide

N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide (PubChem CID 80718870) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
PubChem CID80718870
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC NameN-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
SMILESCCc1cccc(NC(=O)c2cccc(C)c2F)c1
InChIInChI=1S/C16H16FNO/c1-3-12-7-5-8-13(10-12)18-16(19)14-9-4-6-11(2)15(14)17/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyKGOWQPREXVDVMR-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 80718071
N-(3-ethylphenyl)-2-methylsulfanylbenzamide
CID 2591348
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
2-[(3-ethylphenyl)carbamoyl]benzoic acid;propan-2-one
CID 123349577
N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
CID 115376734
N-[3-(chloromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 113270960
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 81477426
2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 80710690
N-[4-chloro-3-(ethylcarbamoyl)phenyl]-2-fluoro-3-methylbenzamide
CID 131939887
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide (CID 80718870) is N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide is CCc1cccc(NC(=O)c2cccc(C)c2F)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide?
The InChIKey is KGOWQPREXVDVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-3-12-7-5-8-13(10-12)18-16(19)14-9-4-6-11(2)15(14)17/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide?
N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide has a molecular weight of 257.31 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80718870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).