3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide

C16H15BrFNO — CID 42990299

IUPAC3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
SMILESCc1ccc(F)c(NC(=O)CCc2cccc(Br)c2)c1
InChIInChI=1S/C16H15BrFNO/c1-11-5-7-14(18)15(9-11)19-16(20)8-6-12-3-2-4-13(17)10-12/h2-5,7,9-10H,6,8H2,1H3,(H,19,20)
InChIKeyGROCENUJCIHSSD-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.47
Rot. Bonds4

About 3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide

3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide (PubChem CID 42990299) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
PubChem CID42990299
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
SMILESCc1ccc(F)c(NC(=O)CCc2cccc(Br)c2)c1
InChIInChI=1S/C16H15BrFNO/c1-11-5-7-14(18)15(9-11)19-16(20)8-6-12-3-2-4-13(17)10-12/h2-5,7,9-10H,6,8H2,1H3,(H,19,20)
InChIKeyGROCENUJCIHSSD-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 43011240
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3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide
CID 43011145
N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
CID 82706258
3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
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4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807
3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 127122015
N-(2,6-difluorophenyl)-3-(3-methylphenyl)propanamide
CID 51277484
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
3-(3-bromophenyl)-N-(2-phenylphenyl)propanamide
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N-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide
CID 60621107

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide (CID 42990299) is 3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide is Cc1ccc(F)c(NC(=O)CCc2cccc(Br)c2)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide?
The InChIKey is GROCENUJCIHSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-11-5-7-14(18)15(9-11)19-16(20)8-6-12-3-2-4-13(17)10-12/h2-5,7,9-10H,6,8H2,1H3,(H,19,20).
What are the key properties of 3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide?
3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide has a molecular weight of 336.20 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide is sourced from PubChem (CID 42990299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).