2-(3-chloro-4-fluorophenoxy)-N-hydroxy-6-phenylmethoxyhexanamide

C19H21ClFNO4 — CID 72558474

IUPAC2-(3-chloro-4-fluorophenoxy)-N-hydroxy-6-phenylmethoxyhexanamide
SMILESO=C(NO)C(CCCCOCc1ccccc1)Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H21ClFNO4/c20-16-12-15(9-10-17(16)21)26-18(19(23)22-24)8-4-5-11-25-13-14-6-2-1-3-7-14/h1-3,6-7,9-10,12,18,24H,4-5,8,11,13H2,(H,22,23)
InChIKeyRSCOCUQVVJPKLR-UHFFFAOYSA-N
MW381.83 g/mol
LogP4.12
Rot. Bonds10

About 2-(3-chloro-4-fluorophenoxy)-N-hydroxy-6-phenylmethoxyhexanamide

2-(3-chloro-4-fluorophenoxy)-N-hydroxy-6-phenylmethoxyhexanamide (PubChem CID 72558474) has the molecular formula C19H21ClFNO4 and a molecular weight of 381.83 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-hydroxy-6-phenylmethoxyhexanamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-hydroxy-6-phenylmethoxyhexanamide
PubChem CID72558474
Molecular FormulaC19H21ClFNO4
Molecular Weight381.83 g/mol
Exact Mass381.11
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-hydroxy-6-phenylmethoxyhexanamide
SMILESO=C(NO)C(CCCCOCc1ccccc1)Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H21ClFNO4/c20-16-12-15(9-10-17(16)21)26-18(19(23)22-24)8-4-5-11-25-13-14-6-2-1-3-7-14/h1-3,6-7,9-10,12,18,24H,4-5,8,11,13H2,(H,22,23)
InChIKeyRSCOCUQVVJPKLR-UHFFFAOYSA-N
XLogP4.12
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.83
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-5-phenylmethoxypentanoic acid
CID 70460928
(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
CID 673599
2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 133239971
dimethyl 4-(1,1,1-trifluoro-6-phenylmethoxyhexan-2-yl)oxybenzene-1,2-dicarboxylate
CID 155584910
2-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300553
N-hydroxy-2-naphthalen-2-yloxyundecanamide
CID 14032482
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
4-(difluoromethoxy)butoxymethylbenzene
CID 122164098
ethyl 2-hydroxy-6-phenylmethoxyhexanoate
CID 141379360
9-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300567
2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid
CID 57395675

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-hydroxy-6-phenylmethoxyhexanamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-hydroxy-6-phenylmethoxyhexanamide (CID 72558474) is 2-(3-chloro-4-fluorophenoxy)-N-hydroxy-6-phenylmethoxyhexanamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-hydroxy-6-phenylmethoxyhexanamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-hydroxy-6-phenylmethoxyhexanamide is O=C(NO)C(CCCCOCc1ccccc1)Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-hydroxy-6-phenylmethoxyhexanamide?
The InChIKey is RSCOCUQVVJPKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO4/c20-16-12-15(9-10-17(16)21)26-18(19(23)22-24)8-4-5-11-25-13-14-6-2-1-3-7-14/h1-3,6-7,9-10,12,18,24H,4-5,8,11,13H2,(H,22,23).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-hydroxy-6-phenylmethoxyhexanamide?
2-(3-chloro-4-fluorophenoxy)-N-hydroxy-6-phenylmethoxyhexanamide has a molecular weight of 381.83 g/mol, XLogP of 4.12, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-hydroxy-6-phenylmethoxyhexanamide is sourced from PubChem (CID 72558474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).