(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[4-(hydroxymethyl)phenyl]-3-methoxypentanamide

C19H22ClNO4 — CID 122623169

IUPAC(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[4-(hydroxymethyl)phenyl]-3-methoxypentanamide
SMILESCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccc(CO)cc1
InChIInChI=1S/C19H22ClNO4/c1-25-18(11-19(23)21-24)17(10-13-4-8-16(20)9-5-13)15-6-2-14(12-22)3-7-15/h2-9,17-18,22,24H,10-12H2,1H3,(H,21,23)/t17-,18-/m1/s1
InChIKeyRKDNNGDDAJAVBZ-QZTJIDSGSA-N
MW363.84 g/mol
LogP3.07
Rot. Bonds8

About (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[4-(hydroxymethyl)phenyl]-3-methoxypentanamide

(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[4-(hydroxymethyl)phenyl]-3-methoxypentanamide (PubChem CID 122623169) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[4-(hydroxymethyl)phenyl]-3-methoxypentanamide.

Molecular Properties

Compound Name(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[4-(hydroxymethyl)phenyl]-3-methoxypentanamide
PubChem CID122623169
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Name(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[4-(hydroxymethyl)phenyl]-3-methoxypentanamide
SMILESCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccc(CO)cc1
InChIInChI=1S/C19H22ClNO4/c1-25-18(11-19(23)21-24)17(10-13-4-8-16(20)9-5-13)15-6-2-14(12-22)3-7-15/h2-9,17-18,22,24H,10-12H2,1H3,(H,21,23)/t17-,18-/m1/s1
InChIKeyRKDNNGDDAJAVBZ-QZTJIDSGSA-N
XLogP3.07
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-N,3-dihydroxypropanamide
CID 71721721
3-(2-chlorophenyl)-N,3-dihydroxypropanamide
CID 72707599
3-(4-chlorophenyl)-N,3-dihydroxypropanamide
CID 72707667
3-(2,4-dichlorophenyl)-N,3-dihydroxypropanamide
CID 155553304
Propanamide, 3-(4-chlorophenyl)-3-hydroxy-
CID 548076
(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-[4-(hydroxymethyl)phenyl]pentanamide
CID 122623199
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide
CID 122623220
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxy-3-(3-hydroxypropoxy)pentanamide
CID 122623255
(3R,4R)-3-butoxy-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-N-hydroxypentanamide
CID 122623285
(3R,4R)-5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-oxidopentanamide
CID 122623300
(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-N-hydroxy-3-methoxypentanamide
CID 122623304
(3R,4R)-5-(4-chloro-2-methylphenyl)-4-(4-fluorophenyl)-3-methoxy-N-oxidopentanamide
CID 122623307

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[4-(hydroxymethyl)phenyl]-3-methoxypentanamide?
The IUPAC name of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[4-(hydroxymethyl)phenyl]-3-methoxypentanamide (CID 122623169) is (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[4-(hydroxymethyl)phenyl]-3-methoxypentanamide.
What is the SMILES notation for (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[4-(hydroxymethyl)phenyl]-3-methoxypentanamide?
The canonical SMILES for (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[4-(hydroxymethyl)phenyl]-3-methoxypentanamide is CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccc(CO)cc1.
What is the InChIKey of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[4-(hydroxymethyl)phenyl]-3-methoxypentanamide?
The InChIKey is RKDNNGDDAJAVBZ-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-25-18(11-19(23)21-24)17(10-13-4-8-16(20)9-5-13)15-6-2-14(12-22)3-7-15/h2-9,17-18,22,24H,10-12H2,1H3,(H,21,23)/t17-,18-/m1/s1.
What are the key properties of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[4-(hydroxymethyl)phenyl]-3-methoxypentanamide?
(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[4-(hydroxymethyl)phenyl]-3-methoxypentanamide has a molecular weight of 363.84 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-4-[4-(hydroxymethyl)phenyl]-3-methoxypentanamide is sourced from PubChem (CID 122623169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).