(4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide

C23H27ClN2O5 — CID 145170986

IUPAC(4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide
SMILESCOC(CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H27ClN2O5/c1-30-21(15-22(27)25-29)20(14-16-2-8-19(24)9-3-16)17-4-6-18(7-5-17)23(28)26-10-12-31-13-11-26/h2-9,20-21,29H,10-15H2,1H3,(H,25,27)/t20-,21?/m1/s1
InChIKeyXWDQDPIWNAQCPL-VQCQRNETSA-N
MW446.93 g/mol
LogP3.05
Rot. Bonds8

About (4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide

(4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide (PubChem CID 145170986) has the molecular formula C23H27ClN2O5 and a molecular weight of 446.93 g/mol. Its IUPAC name is (4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide.

Molecular Properties

Compound Name(4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide
PubChem CID145170986
Molecular FormulaC23H27ClN2O5
Molecular Weight446.93 g/mol
Exact Mass446.16
IUPAC Name(4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide
SMILESCOC(CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H27ClN2O5/c1-30-21(15-22(27)25-29)20(14-16-2-8-19(24)9-3-16)17-4-6-18(7-5-17)23(28)26-10-12-31-13-11-26/h2-9,20-21,29H,10-15H2,1H3,(H,25,27)/t20-,21?/m1/s1
InChIKeyXWDQDPIWNAQCPL-VQCQRNETSA-N
XLogP3.05
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.93
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

tert-butyl 4-[[4-[(2R,3R)-1-(4-chlorophenyl)-3-ethoxy-5-(hydroxyamino)-5-oxopentan-2-yl]phenyl]methyl]piperazine-1-carboxylate
CID 122623402
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide
CID 163539711
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
(4-chlorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073693
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 1130857
N-[[2-chloro-5-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 54860206
(4-chlorophenyl)-morpholin-4-ylmethanone;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174419120
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[4-(chloromethyl)phenyl]-(1,4-oxazepan-4-yl)methanone
CID 62986957
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 43901121

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide?
The IUPAC name of (4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide (CID 145170986) is (4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide.
What is the SMILES notation for (4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide?
The canonical SMILES for (4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide is COC(CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of (4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide?
The InChIKey is XWDQDPIWNAQCPL-VQCQRNETSA-N. The full InChI is InChI=1S/C23H27ClN2O5/c1-30-21(15-22(27)25-29)20(14-16-2-8-19(24)9-3-16)17-4-6-18(7-5-17)23(28)26-10-12-31-13-11-26/h2-9,20-21,29H,10-15H2,1H3,(H,25,27)/t20-,21?/m1/s1.
What are the key properties of (4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide?
(4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide has a molecular weight of 446.93 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide is sourced from PubChem (CID 145170986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).