N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide

C18H20FNO — CID 63483320

IUPACN-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide
SMILESCCc1ccc(C(C)NC(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C18H20FNO/c1-4-14-5-7-15(8-6-14)13(3)20-18(21)16-9-10-17(19)12(2)11-16/h5-11,13H,4H2,1-3H3,(H,20,21)
InChIKeyGHRHSBCJRDYYSK-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.19
Rot. Bonds4

About N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide

N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide (PubChem CID 63483320) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide
PubChem CID63483320
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide
SMILESCCc1ccc(C(C)NC(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C18H20FNO/c1-4-14-5-7-15(8-6-14)13(3)20-18(21)16-9-10-17(19)12(2)11-16/h5-11,13H,4H2,1-3H3,(H,20,21)
InChIKeyGHRHSBCJRDYYSK-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213221
4-bromo-N-[1-(4-ethylphenyl)ethyl]-3-fluorobenzamide
CID 63525462
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
N-[1-(4-ethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 133228176
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide
CID 95356330
N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712064
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methyl-3-nitrobenzamide
CID 93234815
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213045
N-[(1S)-1-(4-ethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706676
N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 16548347
5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide
CID 61140778
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide (CID 63483320) is N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide is CCc1ccc(C(C)NC(=O)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide?
The InChIKey is GHRHSBCJRDYYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-4-14-5-7-15(8-6-14)13(3)20-18(21)16-9-10-17(19)12(2)11-16/h5-11,13H,4H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide?
N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide has a molecular weight of 285.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 63483320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).