N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide

C16H15BrFNO — CID 51891666

IUPACN-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
SMILESC[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccccc1F
InChIInChI=1S/C16H15BrFNO/c1-11(10-12-6-8-13(17)9-7-12)19-16(20)14-4-2-3-5-15(14)18/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyWZSMFMVQYLOATK-LLVKDONJSA-N
MW336.20 g/mol
LogP3.95
Rot. Bonds4

About N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide

N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide (PubChem CID 51891666) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
PubChem CID51891666
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC NameN-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
SMILESC[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccccc1F
InChIInChI=1S/C16H15BrFNO/c1-11(10-12-6-8-13(17)9-7-12)19-16(20)14-4-2-3-5-15(14)18/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyWZSMFMVQYLOATK-LLVKDONJSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide
CID 51948773
5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 60795149
2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
3-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 106544298
2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide
CID 79705015
5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide
CID 107729749
methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate
CID 95575620
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
CID 115662245
2-fluoro-N-(1-phenylbutan-2-yl)benzamide
CID 2973548
6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65286202
N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
CID 51948784

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide (CID 51891666) is N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide is C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccccc1F.
What is the InChIKey of N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide?
The InChIKey is WZSMFMVQYLOATK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-11(10-12-6-8-13(17)9-7-12)19-16(20)14-4-2-3-5-15(14)18/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide?
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide has a molecular weight of 336.20 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 51891666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).