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

C15H12Cl2FNO — CID 9081924

IUPAC5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H12Cl2FNO/c16-11-3-1-10(2-4-11)7-8-19-15(20)13-9-12(17)5-6-14(13)18/h1-6,9H,7-8H2,(H,19,20)
InChIKeyURFCDBGGMCMBMV-UHFFFAOYSA-N
MW312.17 g/mol
LogP4.11
Rot. Bonds4

About 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide

5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide (PubChem CID 9081924) has the molecular formula C15H12Cl2FNO and a molecular weight of 312.17 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
PubChem CID9081924
Molecular FormulaC15H12Cl2FNO
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H12Cl2FNO/c16-11-3-1-10(2-4-11)7-8-19-15(20)13-9-12(17)5-6-14(13)18/h1-6,9H,7-8H2,(H,19,20)
InChIKeyURFCDBGGMCMBMV-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
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5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
N-[2-(4-chlorophenyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939851
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 55424719
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide
CID 673823
5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61238534
4-[2-[(2,5-difluorobenzoyl)amino]ethyl]benzoic acid
CID 71894222
4-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26024473
5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
CID 114504102

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide (CID 9081924) is 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide is O=C(NCCc1ccc(Cl)cc1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide?
The InChIKey is URFCDBGGMCMBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO/c16-11-3-1-10(2-4-11)7-8-19-15(20)13-9-12(17)5-6-14(13)18/h1-6,9H,7-8H2,(H,19,20).
What are the key properties of 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide?
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide has a molecular weight of 312.17 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 9081924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).