N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide

C16H15ClFNO — CID 63213299

IUPACN-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCCc2cccc(Cl)c2)ccc1F
InChIInChI=1S/C16H15ClFNO/c1-11-9-13(5-6-15(11)18)16(20)19-8-7-12-3-2-4-14(17)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyBFXRTAOWUFTWQH-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.76
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide

N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide (PubChem CID 63213299) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
PubChem CID63213299
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCCc2cccc(Cl)c2)ccc1F
InChIInChI=1S/C16H15ClFNO/c1-11-9-13(5-6-15(11)18)16(20)19-8-7-12-3-2-4-14(17)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyBFXRTAOWUFTWQH-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63209632
N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
CID 143158267
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 27838680
N-(4-chlorobutyl)-4-fluoro-3-methylbenzamide
CID 106845201
4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27838626
N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27838781

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide (CID 63213299) is N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NCCc2cccc(Cl)c2)ccc1F.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide?
The InChIKey is BFXRTAOWUFTWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-11-9-13(5-6-15(11)18)16(20)19-8-7-12-3-2-4-14(17)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,20).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide?
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide has a molecular weight of 291.75 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 63213299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).