N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide

C16H15BrFNO — CID 80718780

IUPACN-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)c2ccc(Br)cc2)c1F
InChIInChI=1S/C16H15BrFNO/c1-10-4-3-5-14(15(10)18)16(20)19-11(2)12-6-8-13(17)9-7-12/h3-9,11H,1-2H3,(H,19,20)
InChIKeyIKTBJCWFGZMBFI-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.39
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide

N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide (PubChem CID 80718780) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
PubChem CID80718780
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)c2ccc(Br)cc2)c1F
InChIInChI=1S/C16H15BrFNO/c1-10-4-3-5-14(15(10)18)16(20)19-11(2)12-6-8-13(17)9-7-12/h3-9,11H,1-2H3,(H,19,20)
InChIKeyIKTBJCWFGZMBFI-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2-iodo-3-methylbenzamide
CID 39708887
5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296055
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid
CID 81356390
N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
CID 26072463
N-[(1R)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
CID 26072462
N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide
CID 42906427
N-[1-(4-bromophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62515712
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide
CID 107868800
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 107951327
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide
CID 8751575

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide (CID 80718780) is N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NC(C)c2ccc(Br)cc2)c1F.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide?
The InChIKey is IKTBJCWFGZMBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-10-4-3-5-14(15(10)18)16(20)19-11(2)12-6-8-13(17)9-7-12/h3-9,11H,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide?
N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide has a molecular weight of 336.20 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80718780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).