5-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide

C16H14BrClFNO — CID 60708931

IUPAC5-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide
SMILESCCC(NC(=O)c1cc(Br)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C16H14BrClFNO/c1-2-15(10-3-6-12(18)7-4-10)20-16(21)13-9-11(17)5-8-14(13)19/h3-9,15H,2H2,1H3,(H,20,21)
InChIKeyUAIRPXZEEXGGDP-UHFFFAOYSA-N
MW370.65 g/mol
LogP5.12
Rot. Bonds4

About 5-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide

5-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide (PubChem CID 60708931) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide
PubChem CID60708931
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC Name5-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide
SMILESCCC(NC(=O)c1cc(Br)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C16H14BrClFNO/c1-2-15(10-3-6-12(18)7-4-10)20-16(21)13-9-11(17)5-8-14(13)19/h3-9,15H,2H2,1H3,(H,20,21)
InChIKeyUAIRPXZEEXGGDP-UHFFFAOYSA-N
XLogP5.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 306479
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CID 335179
3-bromo-N-(3-phenylpropyl)benzamide
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4-Chloro-N-cyclohexylbenzamide
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4-bromo-N-(4-phenylbutan-2-yl)benzamide
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4-chloro-N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]benzamide
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N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide
CID 11589093
4'-Chloro-biphenyl-4-carboxylic acid [2-(2-bromo-4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 60130278
3-bromo-N-phenethylbenzamide
CID 787883
3-Bromo-N-(1-phenylethyl)benzamide
CID 603182
N-[1-(4-bromophenyl)ethyl]benzamide
CID 2854121

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide (CID 60708931) is 5-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide is CCC(NC(=O)c1cc(Br)ccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide?
The InChIKey is UAIRPXZEEXGGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c1-2-15(10-3-6-12(18)7-4-10)20-16(21)13-9-11(17)5-8-14(13)19/h3-9,15H,2H2,1H3,(H,20,21).
What are the key properties of 5-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide?
5-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide has a molecular weight of 370.65 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide is sourced from PubChem (CID 60708931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).