5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide

C13H18ClNO2 — CID 107862734

IUPAC5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
SMILESO=C(CCCCCl)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C13H18ClNO2/c14-9-5-4-8-13(17)15-12(10-16)11-6-2-1-3-7-11/h1-3,6-7,12,16H,4-5,8-10H2,(H,15,17)/t12-/m0/s1
InChIKeyCCIAMKBAGXOEDZ-LBPRGKRZSA-N
MW255.74 g/mol
LogP2.25
Rot. Bonds7

About 5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide

5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide (PubChem CID 107862734) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
PubChem CID107862734
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
SMILESO=C(CCCCCl)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C13H18ClNO2/c14-9-5-4-8-13(17)15-12(10-16)11-6-2-1-3-7-11/h1-3,6-7,12,16H,4-5,8-10H2,(H,15,17)/t12-/m0/s1
InChIKeyCCIAMKBAGXOEDZ-LBPRGKRZSA-N
XLogP2.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 59924200
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide
CID 110001835
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide
CID 110002001
N-(3-amino-3-oxo-1-phenylpropyl)-4-chlorobutanamide
CID 174412300
N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide
CID 67310926
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
N-(2-chloro-1-phenylethyl)octanamide
CID 113272309
N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide
CID 103944973

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide?
The IUPAC name of 5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide (CID 107862734) is 5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide?
The canonical SMILES for 5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide is O=C(CCCCCl)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide?
The InChIKey is CCIAMKBAGXOEDZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18ClNO2/c14-9-5-4-8-13(17)15-12(10-16)11-6-2-1-3-7-11/h1-3,6-7,12,16H,4-5,8-10H2,(H,15,17)/t12-/m0/s1.
What are the key properties of 5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide?
5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide has a molecular weight of 255.74 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide is sourced from PubChem (CID 107862734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).