5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide

C15H12Cl2FNO — CID 60674500

IUPAC5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1F)c1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2FNO/c1-9(10-3-2-4-11(16)7-10)19-15(20)13-8-12(17)5-6-14(13)18/h2-9H,1H3,(H,19,20)
InChIKeyCNNPITYSGVZLDY-UHFFFAOYSA-N
MW312.17 g/mol
LogP4.62
Rot. Bonds3

About 5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide

5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide (PubChem CID 60674500) has the molecular formula C15H12Cl2FNO and a molecular weight of 312.17 g/mol. Its IUPAC name is 5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
PubChem CID60674500
Molecular FormulaC15H12Cl2FNO
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1F)c1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2FNO/c1-9(10-3-2-4-11(16)7-10)19-15(20)13-8-12(17)5-6-14(13)18/h2-9H,1H3,(H,19,20)
InChIKeyCNNPITYSGVZLDY-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 25444134
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213045
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide
CID 102705159
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26908020
5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 27759607

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide (CID 60674500) is 5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide is CC(NC(=O)c1cc(Cl)ccc1F)c1cccc(Cl)c1.
What is the InChIKey of 5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide?
The InChIKey is CNNPITYSGVZLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO/c1-9(10-3-2-4-11(16)7-10)19-15(20)13-8-12(17)5-6-14(13)18/h2-9H,1H3,(H,19,20).
What are the key properties of 5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide?
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide has a molecular weight of 312.17 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 60674500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).