(3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide

C19H20BrClFNO3 — CID 122623366

IUPAC(3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide
SMILESCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1C)c1ccc(Br)cc1F
InChIInChI=1S/C19H20BrClFNO3/c1-11-7-14(21)5-3-12(11)8-16(18(26-2)10-19(24)23-25)15-6-4-13(20)9-17(15)22/h3-7,9,16,18,25H,8,10H2,1-2H3,(H,23,24)/t16-,18-/m1/s1
InChIKeyJTAGRPSWLSQAGL-SJLPKXTDSA-N
MW444.73 g/mol
LogP4.79
Rot. Bonds7

About (3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide

(3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide (PubChem CID 122623366) has the molecular formula C19H20BrClFNO3 and a molecular weight of 444.73 g/mol. Its IUPAC name is (3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide.

Molecular Properties

Compound Name(3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide
PubChem CID122623366
Molecular FormulaC19H20BrClFNO3
Molecular Weight444.73 g/mol
Exact Mass443.03
IUPAC Name(3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide
SMILESCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1C)c1ccc(Br)cc1F
InChIInChI=1S/C19H20BrClFNO3/c1-11-7-14(21)5-3-12(11)8-16(18(26-2)10-19(24)23-25)15-6-4-13(20)9-17(15)22/h3-7,9,16,18,25H,8,10H2,1-2H3,(H,23,24)/t16-,18-/m1/s1
InChIKeyJTAGRPSWLSQAGL-SJLPKXTDSA-N
XLogP4.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.73
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxidanium;potassium;[(3R)-5-(4-chloro-2-methylphenyl)-4-(2,4-difluorophenyl)-3-methoxypentanoyl]azanide
CID 140752974
methyl (3S)-3-amino-3-(4-bromo-2-fluorophenyl)propanoate
CID 61150230
methyl 3-(4-bromo-2-methylphenyl)-2-chloropropanoate
CID 79021527
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114906223
methyl 3-(4-chloro-2-fluorophenyl)butanoate
CID 171372756
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993
ethyl 2-bromo-3-(4-bromo-2-methylphenyl)propanoate
CID 83197105
4-bromo-1-(1-chloropropan-2-yl)-2-fluorobenzene
CID 82973231
1-(4-bromo-2-fluorophenyl)-3-methoxypentan-2-ol
CID 116710912
2-(4-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115788462
5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide
CID 155409664
1-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114906262

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide?
The IUPAC name of (3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide (CID 122623366) is (3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide.
What is the SMILES notation for (3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide?
The canonical SMILES for (3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide is CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1C)c1ccc(Br)cc1F.
What is the InChIKey of (3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide?
The InChIKey is JTAGRPSWLSQAGL-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H20BrClFNO3/c1-11-7-14(21)5-3-12(11)8-16(18(26-2)10-19(24)23-25)15-6-4-13(20)9-17(15)22/h3-7,9,16,18,25H,8,10H2,1-2H3,(H,23,24)/t16-,18-/m1/s1.
What are the key properties of (3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide?
(3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide has a molecular weight of 444.73 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide is sourced from PubChem (CID 122623366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).