N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide

C16H15F2NO — CID 71822308

IUPACN-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H15F2NO/c1-2-11-3-5-13(6-4-11)16(20)19-10-12-7-14(17)9-15(18)8-12/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyKELFNLWQDMKCFV-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.46
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide

N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide (PubChem CID 71822308) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide
PubChem CID71822308
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC NameN-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H15F2NO/c1-2-11-3-5-13(6-4-11)16(20)19-10-12-7-14(17)9-15(18)8-12/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyKELFNLWQDMKCFV-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55596850
ethyl 1-[4-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-5-(4-ethylphenyl)pyrazole-3-carboxylate
CID 46091234
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-difluorobenzamide
CID 134039163
4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide
CID 62165092
N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041396
4-ethyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110902443
N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide
CID 62165093
4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598851
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide (CID 71822308) is N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide is CCc1ccc(C(=O)NCc2cc(F)cc(F)c2)cc1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide?
The InChIKey is KELFNLWQDMKCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-2-11-3-5-13(6-4-11)16(20)19-10-12-7-14(17)9-15(18)8-12/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide?
N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide has a molecular weight of 275.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide is sourced from PubChem (CID 71822308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).