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

C16H14BrClFNO — CID 63526336

IUPAC4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide
SMILESCCC(NC(=O)c1ccc(Br)c(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H14BrClFNO/c1-2-15(10-4-3-5-12(18)8-10)20-16(21)11-6-7-13(17)14(19)9-11/h3-9,15H,2H2,1H3,(H,20,21)
InChIKeyHSACNGGHGNXDCI-UHFFFAOYSA-N
MW370.65 g/mol
LogP5.12
Rot. Bonds4

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

4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide (PubChem CID 63526336) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is 4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide
PubChem CID63526336
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC Name4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide
SMILESCCC(NC(=O)c1ccc(Br)c(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H14BrClFNO/c1-2-15(10-4-3-5-12(18)8-10)20-16(21)11-6-7-13(17)14(19)9-11/h3-9,15H,2H2,1H3,(H,20,21)
InChIKeyHSACNGGHGNXDCI-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

4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide
CID 63524586
4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide
CID 114300186
N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide
CID 62511498
N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
CID 75871852
N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide
CID 115497155
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
CID 63524750
N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55583237
2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide
CID 63110061
N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498
3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide
CID 107951914
6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
CID 62234195
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
CID 63189526

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide (CID 63526336) is 4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide is CCC(NC(=O)c1ccc(Br)c(F)c1)c1cccc(Cl)c1.
What is the InChIKey of 4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide?
The InChIKey is HSACNGGHGNXDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c1-2-15(10-4-3-5-12(18)8-10)20-16(21)11-6-7-13(17)14(19)9-11/h3-9,15H,2H2,1H3,(H,20,21).
What are the key properties of 4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide?
4-bromo-N-[1-(3-chlorophenyl)propyl]-3-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 4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide is sourced from PubChem (CID 63526336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).