N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide

C16H15BrFNO2 — CID 104779320

IUPACN-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C16H15BrFNO2/c1-10(2)21-13-5-3-4-11(8-13)16(20)19-12-6-7-15(18)14(17)9-12/h3-10H,1-2H3,(H,19,20)
InChIKeyLKKTZSNWONARRV-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.63
Rot. Bonds4

About N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide

N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide (PubChem CID 104779320) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide
PubChem CID104779320
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC NameN-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C16H15BrFNO2/c1-10(2)21-13-5-3-4-11(8-13)16(20)19-12-6-7-15(18)14(17)9-12/h3-10H,1-2H3,(H,19,20)
InChIKeyLKKTZSNWONARRV-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide
CID 79753661
N-(3,5-dichlorophenyl)-3-propan-2-yloxybenzamide
CID 4318037
N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide
CID 62919110
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 17142916
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate
CID 103706368
N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
CID 115661329
3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 103710619
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
CID 104779331
4-bromo-N-(3-propan-2-yloxyphenyl)benzamide
CID 54791087
3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109056925

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide (CID 104779320) is N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)Nc2ccc(F)c(Br)c2)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide?
The InChIKey is LKKTZSNWONARRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-10(2)21-13-5-3-4-11(8-13)16(20)19-12-6-7-15(18)14(17)9-12/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide?
N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide has a molecular weight of 352.20 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 104779320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).