3-bromo-4-fluoro-N-(2-propylphenyl)benzamide

C16H15BrFNO — CID 103706788

IUPAC3-bromo-4-fluoro-N-(2-propylphenyl)benzamide
SMILESCCCc1ccccc1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H15BrFNO/c1-2-5-11-6-3-4-7-15(11)19-16(20)12-8-9-14(18)13(17)10-12/h3-4,6-10H,2,5H2,1H3,(H,19,20)
InChIKeyXMNAVMGKBBTJLT-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.79
Rot. Bonds4

About 3-bromo-4-fluoro-N-(2-propylphenyl)benzamide

3-bromo-4-fluoro-N-(2-propylphenyl)benzamide (PubChem CID 103706788) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(2-propylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(2-propylphenyl)benzamide
PubChem CID103706788
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name3-bromo-4-fluoro-N-(2-propylphenyl)benzamide
SMILESCCCc1ccccc1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H15BrFNO/c1-2-5-11-6-3-4-7-15(11)19-16(20)12-8-9-14(18)13(17)10-12/h3-4,6-10H,2,5H2,1H3,(H,19,20)
InChIKeyXMNAVMGKBBTJLT-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,5-trifluoro-N-(2-propylphenyl)benzamide
CID 63188626
4-hydroxy-3-methyl-N-(2-propylphenyl)benzamide
CID 103956497
4-(bromomethyl)-N-(2-propylphenyl)benzamide
CID 102851108
3-amino-4-chloro-N-(2-propylphenyl)benzamide
CID 43703947
3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide
CID 103707138
N-(2-propylphenyl)-3-sulfanylbenzamide
CID 107025770
1-methyl-2-oxo-N-(2-propylphenyl)pyridine-4-carboxamide
CID 31870618
3-bromo-N-[2-(1-chloroethyl)phenyl]-4-fluorobenzamide
CID 107956691
3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
CID 81459743
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
4-bromo-N-(2-ethylphenyl)-3-methylbenzamide
CID 112705717
3,5-diacetamido-N-(2-propylphenyl)benzamide
CID 31869884

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(2-propylphenyl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(2-propylphenyl)benzamide (CID 103706788) is 3-bromo-4-fluoro-N-(2-propylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(2-propylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(2-propylphenyl)benzamide is CCCc1ccccc1NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-(2-propylphenyl)benzamide?
The InChIKey is XMNAVMGKBBTJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-2-5-11-6-3-4-7-15(11)19-16(20)12-8-9-14(18)13(17)10-12/h3-4,6-10H,2,5H2,1H3,(H,19,20).
What are the key properties of 3-bromo-4-fluoro-N-(2-propylphenyl)benzamide?
3-bromo-4-fluoro-N-(2-propylphenyl)benzamide has a molecular weight of 336.20 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-(2-propylphenyl)benzamide is sourced from PubChem (CID 103706788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).