1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one

C15H13BrFNO — CID 3403604

IUPAC1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one
SMILESO=C(CCNc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNO/c16-12-3-1-11(2-4-12)15(19)9-10-18-14-7-5-13(17)6-8-14/h1-8,18H,9-10H2
InChIKeyDOTJVVRVTMPACS-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.27
Rot. Bonds5

About 1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one

1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one (PubChem CID 3403604) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one
PubChem CID3403604
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one
SMILESO=C(CCNc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNO/c16-12-3-1-11(2-4-12)15(19)9-10-18-14-7-5-13(17)6-8-14/h1-8,18H,9-10H2
InChIKeyDOTJVVRVTMPACS-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one
CID 602905
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one
CID 4249451
3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one
CID 4051768
3-(4-butan-2-ylanilino)-1-(4-fluorophenyl)propan-1-one
CID 3555461
1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione
CID 70882599
3-(4-bromoanilino)propanamide;ethane
CID 169234714
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
CID 3461885
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-(4-bromophenyl)-3-(2,4-dimethylanilino)propan-1-one
CID 100817184
N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide
CID 109037759

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one (CID 3403604) is 1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one is O=C(CCNc1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one?
The InChIKey is DOTJVVRVTMPACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c16-12-3-1-11(2-4-12)15(19)9-10-18-14-7-5-13(17)6-8-14/h1-8,18H,9-10H2.
What are the key properties of 1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one?
1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one has a molecular weight of 322.18 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one is sourced from PubChem (CID 3403604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).