N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide

C15H14BrFN2O — CID 109037759

IUPACN-(3-bromophenyl)-3-(4-fluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C15H14BrFN2O/c16-11-2-1-3-14(10-11)19-15(20)8-9-18-13-6-4-12(17)5-7-13/h1-7,10,18H,8-9H2,(H,19,20)
InChIKeyIUKVRJCKVDKITE-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.03
Rot. Bonds5

About N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide

N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide (PubChem CID 109037759) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(4-fluoroanilino)propanamide
PubChem CID109037759
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-(3-bromophenyl)-3-(4-fluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C15H14BrFN2O/c16-11-2-1-3-14(10-11)19-15(20)8-9-18-13-6-4-12(17)5-7-13/h1-7,10,18H,8-9H2,(H,19,20)
InChIKeyIUKVRJCKVDKITE-UHFFFAOYSA-N
XLogP4.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109042183
N-(3-bromophenyl)-3-(4-cyanoanilino)propanamide
CID 109042157
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
N'-(3-bromophenyl)-N-(4-fluorophenyl)oxamide
CID 108512623
N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide
CID 109035607
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 42053193
N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109040694
3-(3-bromoanilino)-N-methylpropanamide
CID 62324388
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
N-(3-bromophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 29271657

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide?
The IUPAC name of N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide (CID 109037759) is N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide is O=C(CCNc1ccc(F)cc1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide?
The InChIKey is IUKVRJCKVDKITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c16-11-2-1-3-14(10-11)19-15(20)8-9-18-13-6-4-12(17)5-7-13/h1-7,10,18H,8-9H2,(H,19,20).
What are the key properties of N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide?
N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide has a molecular weight of 337.19 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide is sourced from PubChem (CID 109037759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).