(2S)-2-[(4-chlorophenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide

C22H27ClFNO2 — CID 59512611

IUPAC(2S)-2-[(4-chlorophenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide
SMILESCc1cc(CCCCCC[C@@H](Cc2ccc(Cl)cc2)C(=O)NO)ccc1F
InChIInChI=1S/C22H27ClFNO2/c1-16-14-17(10-13-21(16)24)6-4-2-3-5-7-19(22(26)25-27)15-18-8-11-20(23)12-9-18/h8-14,19,27H,2-7,15H2,1H3,(H,25,26)/t19-/m0/s1
InChIKeySOQQVEDLLLGCCT-IBGZPJMESA-N
MW391.91 g/mol
LogP5.64
Rot. Bonds10

About (2S)-2-[(4-chlorophenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide

(2S)-2-[(4-chlorophenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide (PubChem CID 59512611) has the molecular formula C22H27ClFNO2 and a molecular weight of 391.91 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide
PubChem CID59512611
Molecular FormulaC22H27ClFNO2
Molecular Weight391.91 g/mol
Exact Mass391.17
IUPAC Name(2S)-2-[(4-chlorophenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide
SMILESCc1cc(CCCCCC[C@@H](Cc2ccc(Cl)cc2)C(=O)NO)ccc1F
InChIInChI=1S/C22H27ClFNO2/c1-16-14-17(10-13-21(16)24)6-4-2-3-5-7-19(22(26)25-27)15-18-8-11-20(23)12-9-18/h8-14,19,27H,2-7,15H2,1H3,(H,25,26)/t19-/m0/s1
InChIKeySOQQVEDLLLGCCT-IBGZPJMESA-N
XLogP5.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.91
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(4-chlorophenyl)-N-hydroxyacetamide
CID 45482643
(S)-6-(4-chlorobenzylamino)-2-(4-fluoro-3,5-dimethylbenzyl)-N-hydroxyhexanamide
CID 24991002
(S)-6-(4-chlorobenzylamino)-2-(4-fluoro-3-methylbenzyl)-N-hydroxyhexanamide
CID 54581015
5-(4-chlorophenyl)-N-hydroxypentanamide
CID 11528707
(S)-2-(4-fluoro-3,5-dimethylbenzyl)-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide
CID 54585907
2-[3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide
CID 71719498
2-(4-chlorophenyl)-N-hydroxyacetamide
CID 23423499
N-Methoxy-N-methyl-3-(4-chlorophenyl)-2-(3-fluorophenyl)propanamide
CID 16098351
2-(4-Fluoro-3-methyl-benzyl)-hexanoic acid hydroxyamide
CID 24991368
2-[2-(4-Chloro-2-fluorophenyl)phenyl]acetamide
CID 46211971
2-[2-(4-Chloro-3-fluorophenyl)phenyl]acetamide
CID 58434070
2-[2-(4-Chlorophenyl)-5-fluorophenyl]acetamide
CID 58434109

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide (CID 59512611) is (2S)-2-[(4-chlorophenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide is Cc1cc(CCCCCC[C@@H](Cc2ccc(Cl)cc2)C(=O)NO)ccc1F.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide?
The InChIKey is SOQQVEDLLLGCCT-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27ClFNO2/c1-16-14-17(10-13-21(16)24)6-4-2-3-5-7-19(22(26)25-27)15-18-8-11-20(23)12-9-18/h8-14,19,27H,2-7,15H2,1H3,(H,25,26)/t19-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide?
(2S)-2-[(4-chlorophenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide has a molecular weight of 391.91 g/mol, XLogP of 5.64, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide is sourced from PubChem (CID 59512611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).