4-bromo-N-(4-butylphenyl)-2-fluorobenzamide

C17H17BrFNO — CID 43216193

IUPAC4-bromo-N-(4-butylphenyl)-2-fluorobenzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H17BrFNO/c1-2-3-4-12-5-8-14(9-6-12)20-17(21)15-10-7-13(18)11-16(15)19/h5-11H,2-4H2,1H3,(H,20,21)
InChIKeyZLKJUXRXAQEECV-UHFFFAOYSA-N
MW350.23 g/mol
LogP5.18
Rot. Bonds5

About 4-bromo-N-(4-butylphenyl)-2-fluorobenzamide

4-bromo-N-(4-butylphenyl)-2-fluorobenzamide (PubChem CID 43216193) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 4-bromo-N-(4-butylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-butylphenyl)-2-fluorobenzamide
PubChem CID43216193
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name4-bromo-N-(4-butylphenyl)-2-fluorobenzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H17BrFNO/c1-2-3-4-12-5-8-14(9-6-12)20-17(21)15-10-7-13(18)11-16(15)19/h5-11H,2-4H2,1H3,(H,20,21)
InChIKeyZLKJUXRXAQEECV-UHFFFAOYSA-N
XLogP5.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.23
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-butylphenyl)-2,4-difluorobenzamide
CID 8961049
4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide
CID 33154064
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
4-[(4-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 24703063
N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide
CID 108502479
2-amino-N-(4-butylphenyl)-5-chlorobenzamide
CID 43378411
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79050043
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
N-(4-butylphenyl)-5-chloro-2-methoxybenzamide
CID 3544721
4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43100929
4-bromo-N-(4-carbamothioylphenyl)-2-fluorobenzamide
CID 28539669

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-butylphenyl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(4-butylphenyl)-2-fluorobenzamide (CID 43216193) is 4-bromo-N-(4-butylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(4-butylphenyl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(4-butylphenyl)-2-fluorobenzamide is CCCCc1ccc(NC(=O)c2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-N-(4-butylphenyl)-2-fluorobenzamide?
The InChIKey is ZLKJUXRXAQEECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-2-3-4-12-5-8-14(9-6-12)20-17(21)15-10-7-13(18)11-16(15)19/h5-11H,2-4H2,1H3,(H,20,21).
What are the key properties of 4-bromo-N-(4-butylphenyl)-2-fluorobenzamide?
4-bromo-N-(4-butylphenyl)-2-fluorobenzamide has a molecular weight of 350.23 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-butylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 43216193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).