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

C16H14BrClFNO — CID 107951914

IUPAC3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide
SMILESCCC(NC(=O)c1cccc(Br)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C16H14BrClFNO/c1-2-14(10-6-8-11(18)9-7-10)20-16(21)12-4-3-5-13(17)15(12)19/h3-9,14H,2H2,1H3,(H,20,21)
InChIKeyWPUSYELQDHPMDO-UHFFFAOYSA-N
MW370.65 g/mol
LogP5.12
Rot. Bonds4

About 3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide

3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide (PubChem CID 107951914) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is 3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide
PubChem CID107951914
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC Name3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide
SMILESCCC(NC(=O)c1cccc(Br)c1F)c1ccc(Cl)cc1
InChIInChI=1S/C16H14BrClFNO/c1-2-14(10-6-8-11(18)9-7-10)20-16(21)12-4-3-5-13(17)15(12)19/h3-9,14H,2H2,1H3,(H,20,21)
InChIKeyWPUSYELQDHPMDO-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

2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide
CID 81499811
2-amino-N-[1-(4-chlorophenyl)propyl]benzamide
CID 61214980
N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide
CID 60674486
N-(1-aminobutan-2-yl)-3-bromo-2-fluorobenzamide
CID 107956165
3-bromo-N-(2-bromo-1-phenylethyl)-2-fluorobenzamide
CID 107956724
2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51187408
3-bromo-N-(5-chloropentan-2-yl)-2-fluorobenzamide
CID 107956694
3-bromo-N-(2-chlorobutyl)-2-fluorobenzamide
CID 107956821
3-bromo-2-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 103976921
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid
CID 107949095
4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide
CID 63526336
3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 107951723

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide (CID 107951914) is 3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide is CCC(NC(=O)c1cccc(Br)c1F)c1ccc(Cl)cc1.
What is the InChIKey of 3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide?
The InChIKey is WPUSYELQDHPMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c1-2-14(10-6-8-11(18)9-7-10)20-16(21)12-4-3-5-13(17)15(12)19/h3-9,14H,2H2,1H3,(H,20,21).
What are the key properties of 3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide?
3-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 3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide is sourced from PubChem (CID 107951914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).