7-[(1S,2R)-2-[4-(3-chlorophenyl)imino-3-hydroxybutyl]cyclopentyl]-N-hydroxyheptanamide

C22H33ClN2O3 — CID 142015642

IUPAC7-[(1S,2R)-2-[4-(3-chlorophenyl)imino-3-hydroxybutyl]cyclopentyl]-N-hydroxyheptanamide
SMILESO=C(CCCCCC[C@H]1CCC[C@@H]1CCC(O)/C=N/c1cccc(Cl)c1)NO
InChIInChI=1S/C22H33ClN2O3/c23-19-10-6-11-20(15-19)24-16-21(26)14-13-18-9-5-8-17(18)7-3-1-2-4-12-22(27)25-28/h6,10-11,15-18,21,26,28H,1-5,7-9,12-14H2,(H,25,27)/b24-16+/t17-,18+,21?/m0/s1
InChIKeyKVWMUSPMJMBKDD-NABAAAKTSA-N
MW408.97 g/mol
LogP5.45
Rot. Bonds12

About 7-[(1S,2R)-2-[4-(3-chlorophenyl)imino-3-hydroxybutyl]cyclopentyl]-N-hydroxyheptanamide

7-[(1S,2R)-2-[4-(3-chlorophenyl)imino-3-hydroxybutyl]cyclopentyl]-N-hydroxyheptanamide (PubChem CID 142015642) has the molecular formula C22H33ClN2O3 and a molecular weight of 408.97 g/mol. Its IUPAC name is 7-[(1S,2R)-2-[4-(3-chlorophenyl)imino-3-hydroxybutyl]cyclopentyl]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[(1S,2R)-2-[4-(3-chlorophenyl)imino-3-hydroxybutyl]cyclopentyl]-N-hydroxyheptanamide
PubChem CID142015642
Molecular FormulaC22H33ClN2O3
Molecular Weight408.97 g/mol
Exact Mass408.22
IUPAC Name7-[(1S,2R)-2-[4-(3-chlorophenyl)imino-3-hydroxybutyl]cyclopentyl]-N-hydroxyheptanamide
SMILESO=C(CCCCCC[C@H]1CCC[C@@H]1CCC(O)/C=N/c1cccc(Cl)c1)NO
InChIInChI=1S/C22H33ClN2O3/c23-19-10-6-11-20(15-19)24-16-21(26)14-13-18-9-5-8-17(18)7-3-1-2-4-12-22(27)25-28/h6,10-11,15-18,21,26,28H,1-5,7-9,12-14H2,(H,25,27)/b24-16+/t17-,18+,21?/m0/s1
InChIKeyKVWMUSPMJMBKDD-NABAAAKTSA-N
XLogP5.45
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.97
LogP ≤ 55.45
H-Bond Donors ≤ 53
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(1S,2R)-2-[4-(3-chlorophenyl)imino-3-hydroxybutyl]cyclopentyl]-N-hydroxyheptanamide?
The IUPAC name of 7-[(1S,2R)-2-[4-(3-chlorophenyl)imino-3-hydroxybutyl]cyclopentyl]-N-hydroxyheptanamide (CID 142015642) is 7-[(1S,2R)-2-[4-(3-chlorophenyl)imino-3-hydroxybutyl]cyclopentyl]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[(1S,2R)-2-[4-(3-chlorophenyl)imino-3-hydroxybutyl]cyclopentyl]-N-hydroxyheptanamide?
The canonical SMILES for 7-[(1S,2R)-2-[4-(3-chlorophenyl)imino-3-hydroxybutyl]cyclopentyl]-N-hydroxyheptanamide is O=C(CCCCCC[C@H]1CCC[C@@H]1CCC(O)/C=N/c1cccc(Cl)c1)NO.
What is the InChIKey of 7-[(1S,2R)-2-[4-(3-chlorophenyl)imino-3-hydroxybutyl]cyclopentyl]-N-hydroxyheptanamide?
The InChIKey is KVWMUSPMJMBKDD-NABAAAKTSA-N. The full InChI is InChI=1S/C22H33ClN2O3/c23-19-10-6-11-20(15-19)24-16-21(26)14-13-18-9-5-8-17(18)7-3-1-2-4-12-22(27)25-28/h6,10-11,15-18,21,26,28H,1-5,7-9,12-14H2,(H,25,27)/b24-16+/t17-,18+,21?/m0/s1.
What are the key properties of 7-[(1S,2R)-2-[4-(3-chlorophenyl)imino-3-hydroxybutyl]cyclopentyl]-N-hydroxyheptanamide?
7-[(1S,2R)-2-[4-(3-chlorophenyl)imino-3-hydroxybutyl]cyclopentyl]-N-hydroxyheptanamide has a molecular weight of 408.97 g/mol, XLogP of 5.45, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,2R)-2-[4-(3-chlorophenyl)imino-3-hydroxybutyl]cyclopentyl]-N-hydroxyheptanamide is sourced from PubChem (CID 142015642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).