(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide

C18H16ClF4NO3 — CID 122623397

IUPAC(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide
SMILESCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C18H16ClF4NO3/c1-27-14(8-15(25)24-26)11(6-9-2-4-10(19)5-3-9)12-7-13(20)17(22)18(23)16(12)21/h2-5,7,11,14,26H,6,8H2,1H3,(H,24,25)/t11-,14-/m1/s1
InChIKeyUAQRGKWMFFGLSF-BXUZGUMPSA-N
MW405.78 g/mol
LogP4.13
Rot. Bonds7

About (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide

(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide (PubChem CID 122623397) has the molecular formula C18H16ClF4NO3 and a molecular weight of 405.78 g/mol. Its IUPAC name is (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide.

Molecular Properties

Compound Name(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide
PubChem CID122623397
Molecular FormulaC18H16ClF4NO3
Molecular Weight405.78 g/mol
Exact Mass405.08
IUPAC Name(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide
SMILESCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C18H16ClF4NO3/c1-27-14(8-15(25)24-26)11(6-9-2-4-10(19)5-3-9)12-7-13(20)17(22)18(23)16(12)21/h2-5,7,11,14,26H,6,8H2,1H3,(H,24,25)/t11-,14-/m1/s1
InChIKeyUAQRGKWMFFGLSF-BXUZGUMPSA-N
XLogP4.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.78
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide 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

5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide
CID 163942617
5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide
CID 145170995
5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide
CID 155409664
(3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide
CID 122623366
(4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide
CID 145170986
(3R,4R)-4-(1-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;2,2,2-trifluoroacetic acid
CID 155409622
5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide
CID 163539711
potassium (3R,4R)-5-(4-chlorophenyl)-3-ethoxy-4-(4-fluorophenyl)-N-oxidopentanamide
CID 122623391
methyl 3-chloro-4-(4-chlorophenyl)butanoate
CID 82352044
methyl (2R)-3-(4-chlorophenyl)-2-isocyanopropanoate
CID 97291393
2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 62964463
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide
CID 10237327

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide?
The IUPAC name of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide (CID 122623397) is (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide.
What is the SMILES notation for (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide?
The canonical SMILES for (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide is CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide?
The InChIKey is UAQRGKWMFFGLSF-BXUZGUMPSA-N. The full InChI is InChI=1S/C18H16ClF4NO3/c1-27-14(8-15(25)24-26)11(6-9-2-4-10(19)5-3-9)12-7-13(20)17(22)18(23)16(12)21/h2-5,7,11,14,26H,6,8H2,1H3,(H,24,25)/t11-,14-/m1/s1.
What are the key properties of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide?
(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide has a molecular weight of 405.78 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide is sourced from PubChem (CID 122623397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).