N-(4-bromophenyl)-3-fluoro-5-phenylpentanamide

C17H17BrFNO — CID 164670401

IUPACN-(4-bromophenyl)-3-fluoro-5-phenylpentanamide
SMILESO=C(CC(F)CCc1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C17H17BrFNO/c18-14-7-10-16(11-8-14)20-17(21)12-15(19)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-11,15H,6,9,12H2,(H,20,21)
InChIKeyNQRYWKWRKGDQRY-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.75
Rot. Bonds6

About N-(4-bromophenyl)-3-fluoro-5-phenylpentanamide

N-(4-bromophenyl)-3-fluoro-5-phenylpentanamide (PubChem CID 164670401) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-fluoro-5-phenylpentanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-fluoro-5-phenylpentanamide
PubChem CID164670401
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC NameN-(4-bromophenyl)-3-fluoro-5-phenylpentanamide
SMILESO=C(CC(F)CCc1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C17H17BrFNO/c18-14-7-10-16(11-8-14)20-17(21)12-15(19)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-11,15H,6,9,12H2,(H,20,21)
InChIKeyNQRYWKWRKGDQRY-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-3-(3-phenylpropanoylamino)urea
CID 24818621
3-methyl-5-phenyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 175774255
3-(4-bromophenyl)-3-hydroxy-N-phenylpropanamide
CID 22142303
3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide
CID 71583388
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
(3R)-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7324001
N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide
CID 32537851
4-(4-bromophenyl)-2-fluorobutanoic acid
CID 84729590
N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide
CID 114310172
N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 21168358
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
[2-(4-bromoanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335001

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-fluoro-5-phenylpentanamide?
The IUPAC name of N-(4-bromophenyl)-3-fluoro-5-phenylpentanamide (CID 164670401) is N-(4-bromophenyl)-3-fluoro-5-phenylpentanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-fluoro-5-phenylpentanamide?
The canonical SMILES for N-(4-bromophenyl)-3-fluoro-5-phenylpentanamide is O=C(CC(F)CCc1ccccc1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-fluoro-5-phenylpentanamide?
The InChIKey is NQRYWKWRKGDQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c18-14-7-10-16(11-8-14)20-17(21)12-15(19)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-11,15H,6,9,12H2,(H,20,21).
What are the key properties of N-(4-bromophenyl)-3-fluoro-5-phenylpentanamide?
N-(4-bromophenyl)-3-fluoro-5-phenylpentanamide has a molecular weight of 350.23 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-fluoro-5-phenylpentanamide is sourced from PubChem (CID 164670401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).