N-(4-bromo-2-fluorophenyl)-4-phenylbutanamide

C16H15BrFNO — CID 885971

IUPACN-(4-bromo-2-fluorophenyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C16H15BrFNO/c17-13-9-10-15(14(18)11-13)19-16(20)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,19,20)
InChIKeyUCAVJOMYEITAPJ-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.55
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-4-phenylbutanamide

N-(4-bromo-2-fluorophenyl)-4-phenylbutanamide (PubChem CID 885971) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-phenylbutanamide
PubChem CID885971
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C16H15BrFNO/c17-13-9-10-15(14(18)11-13)19-16(20)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,19,20)
InChIKeyUCAVJOMYEITAPJ-UHFFFAOYSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzamide, N-(3-bromophenyl)-
CID 202396
Benzamide, 2-bromo-N-(4-bromophenyl)-
CID 603324
Benzamide, N-(4-bromophenyl)-
CID 101357
N,2-Diphenylacetamide
CID 225533
4'-Bromo-4-methylbenzanilide
CID 531830
2-Bromo-N-M-tolyl-benzamide
CID 532187
N-(4-bromophenyl)-2-(3-chlorophenyl)acetamide
CID 758119
Benzamide, N-(2-bromophenyl)-
CID 101311
N-(4-Bromophenyl)-2-iodobenzamide
CID 1548580
N-(4-bromo-2-ethylphenyl)acetamide
CID 2735223
N-(3-bromophenyl)-3-fluorobenzamide
CID 3532749
4'-Bromo-2'-phenylacetanilide
CID 242400

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-phenylbutanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-phenylbutanamide (CID 885971) is N-(4-bromo-2-fluorophenyl)-4-phenylbutanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-phenylbutanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-phenylbutanamide?
The InChIKey is UCAVJOMYEITAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c17-13-9-10-15(14(18)11-13)19-16(20)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,19,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-phenylbutanamide?
N-(4-bromo-2-fluorophenyl)-4-phenylbutanamide has a molecular weight of 336.20 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-phenylbutanamide is sourced from PubChem (CID 885971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).