1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one

C10H10BrClFNO — CID 106763954

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C10H10BrClFNO/c1-14-5-4-8(15)6-2-3-7(11)9(12)10(6)13/h2-3,14H,4-5H2,1H3
InChIKeyCQHNESFTEQPMKE-UHFFFAOYSA-N
MW294.55 g/mol
LogP3.03
Rot. Bonds4

About 1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one

1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one (PubChem CID 106763954) has the molecular formula C10H10BrClFNO and a molecular weight of 294.55 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one
PubChem CID106763954
Molecular FormulaC10H10BrClFNO
Molecular Weight294.55 g/mol
Exact Mass292.96
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C10H10BrClFNO/c1-14-5-4-8(15)6-2-3-7(11)9(12)10(6)13/h2-3,14H,4-5H2,1H3
InChIKeyCQHNESFTEQPMKE-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.55
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 106761854
1-(4-bromo-3-chloro-2-fluorophenyl)decan-1-one
CID 106764158
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 106761722
1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one
CID 106763987
1-(3-bromo-2-chloro-6-fluorophenyl)-2-(methylamino)ethanone
CID 117450497
(E)-1-(4-bromo-3-chloro-2-fluorophenyl)pent-2-en-1-one
CID 106761967
(4-bromo-3-chloro-2-fluorophenyl)-pyridin-4-ylmethanone
CID 106761695
[4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone
CID 106763911
1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one
CID 82112284
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanone
CID 106764172
(4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 106761714
2-(aminomethyl)-1-(4-bromo-3-chloro-2-fluorophenyl)butan-1-one
CID 106763995

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one (CID 106763954) is 1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one is CNCCC(=O)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one?
The InChIKey is CQHNESFTEQPMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFNO/c1-14-5-4-8(15)6-2-3-7(11)9(12)10(6)13/h2-3,14H,4-5H2,1H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one?
1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one has a molecular weight of 294.55 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one is sourced from PubChem (CID 106763954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).