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

C15H19BrFNO — CID 114020017

IUPAC3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide
SMILESCC1CCCCCC1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H19BrFNO/c1-10-5-3-2-4-6-14(10)18-15(19)11-7-8-13(17)12(16)9-11/h7-10,14H,2-6H2,1H3,(H,18,19)
InChIKeyYCOBSCMVILMEQJ-UHFFFAOYSA-N
MW328.23 g/mol
LogP4.29
Rot. Bonds2

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

3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide (PubChem CID 114020017) has the molecular formula C15H19BrFNO and a molecular weight of 328.23 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide
PubChem CID114020017
Molecular FormulaC15H19BrFNO
Molecular Weight328.23 g/mol
Exact Mass327.06
IUPAC Name3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide
SMILESCC1CCCCCC1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H19BrFNO/c1-10-5-3-2-4-6-14(10)18-15(19)11-7-8-13(17)12(16)9-11/h7-10,14H,2-6H2,1H3,(H,18,19)
InChIKeyYCOBSCMVILMEQJ-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
3-bromo-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 113256587
N-[(1S,2R)-2-methylcyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9272837
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide
CID 8624319
3-hydroxy-4-iodo-N-(2-methylcyclohexyl)benzamide
CID 104627390
3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide
CID 59356103
4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide
CID 63997773

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide (CID 114020017) is 3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide is CC1CCCCCC1NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide?
The InChIKey is YCOBSCMVILMEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-10-5-3-2-4-6-14(10)18-15(19)11-7-8-13(17)12(16)9-11/h7-10,14H,2-6H2,1H3,(H,18,19).
What are the key properties of 3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide?
3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide has a molecular weight of 328.23 g/mol, XLogP of 4.29, 2 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-methylcycloheptyl)benzamide is sourced from PubChem (CID 114020017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).