2-chloro-N-[1-(2-chlorophenyl)ethyl]-4-fluorobenzamide

C15H12Cl2FNO — CID 42905863

IUPAC2-chloro-N-[1-(2-chlorophenyl)ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H12Cl2FNO/c1-9(11-4-2-3-5-13(11)16)19-15(20)12-7-6-10(18)8-14(12)17/h2-9H,1H3,(H,19,20)
InChIKeyWVICMSFYLGDRBP-UHFFFAOYSA-N
MW312.17 g/mol
LogP4.62
Rot. Bonds3

About 2-chloro-N-[1-(2-chlorophenyl)ethyl]-4-fluorobenzamide

2-chloro-N-[1-(2-chlorophenyl)ethyl]-4-fluorobenzamide (PubChem CID 42905863) has the molecular formula C15H12Cl2FNO and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-chlorophenyl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-chlorophenyl)ethyl]-4-fluorobenzamide
PubChem CID42905863
Molecular FormulaC15H12Cl2FNO
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name2-chloro-N-[1-(2-chlorophenyl)ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H12Cl2FNO/c1-9(11-4-2-3-5-13(11)16)19-15(20)12-7-6-10(18)8-14(12)17/h2-9H,1H3,(H,19,20)
InChIKeyWVICMSFYLGDRBP-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

Ssr-504734
CID 9954540
N-butyl-2-chlorobenzamide
CID 347041
2-Chloro-N-phenethyl-benzamide
CID 692233
Jnj-63533054
CID 2548547
4-Chloro-N-phenethylbenzamide
CID 306479
N-benzyl-4-chlorobenzamide
CID 346668
2,3-Dichloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-benzamide
CID 73442861
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
4-chloro-N-(2-oxo-2-phenylethyl)benzamide
CID 832101
1-(2-Chloro-benzoyl)-piperazine
CID 2060585
N-Benzyl-2-chloro-benzamide
CID 347073

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-4-fluorobenzamide (CID 42905863) is 2-chloro-N-[1-(2-chlorophenyl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[1-(2-chlorophenyl)ethyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[1-(2-chlorophenyl)ethyl]-4-fluorobenzamide is CC(NC(=O)c1ccc(F)cc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-4-fluorobenzamide?
The InChIKey is WVICMSFYLGDRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO/c1-9(11-4-2-3-5-13(11)16)19-15(20)12-7-6-10(18)8-14(12)17/h2-9H,1H3,(H,19,20).
What are the key properties of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-4-fluorobenzamide?
2-chloro-N-[1-(2-chlorophenyl)ethyl]-4-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 2-chloro-N-[1-(2-chlorophenyl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 42905863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).