N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide

C17H18FNO — CID 26463015

IUPACN-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCCc2cccc(F)c2)c1C
InChIInChI=1S/C17H18FNO/c1-12-5-3-8-16(13(12)2)17(20)19-10-9-14-6-4-7-15(18)11-14/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyYVFYEENGRYJHJH-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.42
Rot. Bonds4

About N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide

N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide (PubChem CID 26463015) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
PubChem CID26463015
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCCc2cccc(F)c2)c1C
InChIInChI=1S/C17H18FNO/c1-12-5-3-8-16(13(12)2)17(20)19-10-9-14-6-4-7-15(18)11-14/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyYVFYEENGRYJHJH-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 9182422
3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115930156
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
2-amino-3-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115540075
N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 18118749
4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81226046
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234
2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide
CID 78812511
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
2,3,4-trimethyl-N-(2-phenylethyl)benzamide
CID 84533517

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide (CID 26463015) is N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NCCc2cccc(F)c2)c1C.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide?
The InChIKey is YVFYEENGRYJHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-5-3-8-16(13(12)2)17(20)19-10-9-14-6-4-7-15(18)11-14/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide?
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide has a molecular weight of 271.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 26463015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).