N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide

C15H12BrClFNO2 — CID 2930780

IUPACN-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrClFNO2/c1-9(21-12-4-2-3-11(17)8-12)15(20)19-14-6-5-10(16)7-13(14)18/h2-9H,1H3,(H,19,20)
InChIKeyRGRYCPOZRMWLCK-UHFFFAOYSA-N
MW372.62 g/mol
LogP4.65
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide

N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide (PubChem CID 2930780) has the molecular formula C15H12BrClFNO2 and a molecular weight of 372.62 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide
PubChem CID2930780
Molecular FormulaC15H12BrClFNO2
Molecular Weight372.62 g/mol
Exact Mass370.97
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrClFNO2/c1-9(21-12-4-2-3-11(17)8-12)15(20)19-14-6-5-10(16)7-13(14)18/h2-9H,1H3,(H,19,20)
InChIKeyRGRYCPOZRMWLCK-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
CID 7959134
N-(2-amino-4-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 62227599
2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide
CID 5189907
(2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 95079877
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578082
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
CID 18084152
N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 18084154
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide
CID 8956661
(2R)-2-(3-acetylphenoxy)-N-(4-chloro-2-fluorophenyl)propanamide
CID 8639705
(2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide
CID 124574267
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide (CID 2930780) is N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide?
The InChIKey is RGRYCPOZRMWLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO2/c1-9(21-12-4-2-3-11(17)8-12)15(20)19-14-6-5-10(16)7-13(14)18/h2-9H,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide?
N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide has a molecular weight of 372.62 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 2930780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).