N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide

C15H13ClFNO — CID 844160

IUPACN-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccccc1F
InChIInChI=1S/C15H13ClFNO/c16-12-5-3-4-11(10-12)8-9-18-15(19)13-6-1-2-7-14(13)17/h1-7,10H,8-9H2,(H,18,19)
InChIKeyJTJZXMDKILNZCN-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.45
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide

N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide (PubChem CID 844160) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
PubChem CID844160
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccccc1F
InChIInChI=1S/C15H13ClFNO/c16-12-5-3-4-11(10-12)8-9-18-15(19)13-6-1-2-7-14(13)17/h1-7,10H,8-9H2,(H,18,19)
InChIKeyJTJZXMDKILNZCN-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878
N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51192847
N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide
CID 51277577
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
N-[2-(3-chlorophenyl)ethyl]-2-propan-2-ylsulfonylbenzamide
CID 39932239
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
N-[4-[(3-chlorophenyl)methylcarbamothioylamino]phenyl]-2-fluorobenzamide
CID 15955540

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide (CID 844160) is N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide is O=C(NCCc1cccc(Cl)c1)c1ccccc1F.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide?
The InChIKey is JTJZXMDKILNZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-12-5-3-4-11(10-12)8-9-18-15(19)13-6-1-2-7-14(13)17/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide?
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide has a molecular weight of 277.73 g/mol, XLogP of 3.45, 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]-2-fluorobenzamide is sourced from PubChem (CID 844160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).