5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide

C15H11Cl3FNO — CID 60674629

IUPAC5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl3FNO/c1-8(9-2-4-12(17)13(18)6-9)20-15(21)11-7-10(16)3-5-14(11)19/h2-8H,1H3,(H,20,21)
InChIKeyHXNHUQBCOGRKLS-UHFFFAOYSA-N
MW346.62 g/mol
LogP5.28
Rot. Bonds3

About 5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide

5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide (PubChem CID 60674629) has the molecular formula C15H11Cl3FNO and a molecular weight of 346.62 g/mol. Its IUPAC name is 5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
PubChem CID60674629
Molecular FormulaC15H11Cl3FNO
Molecular Weight346.62 g/mol
Exact Mass344.99
IUPAC Name5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl3FNO/c1-8(9-2-4-12(17)13(18)6-9)20-15(21)11-7-10(16)3-5-14(11)19/h2-8H,1H3,(H,20,21)
InChIKeyHXNHUQBCOGRKLS-UHFFFAOYSA-N
XLogP5.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.62
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62513333
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 27759607
5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 25444134
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide
CID 63188927
2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 62073815
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide
CID 133262276
2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 55350113
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide (CID 60674629) is 5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide is CC(NC(=O)c1cc(Cl)ccc1F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide?
The InChIKey is HXNHUQBCOGRKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3FNO/c1-8(9-2-4-12(17)13(18)6-9)20-15(21)11-7-10(16)3-5-14(11)19/h2-8H,1H3,(H,20,21).
What are the key properties of 5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide?
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide has a molecular weight of 346.62 g/mol, XLogP of 5.28, 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-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 60674629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).