N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide

C12H16ClNO2 — CID 81354540

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide
SMILESC[C@H](NC(=O)CCCO)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-9(14-12(16)3-2-8-15)10-4-6-11(13)7-5-10/h4-7,9,15H,2-3,8H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyMMPRTBMMIFNDOP-VIFPVBQESA-N
MW241.72 g/mol
LogP2.29
Rot. Bonds5

About N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide (PubChem CID 81354540) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide
PubChem CID81354540
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide
SMILESC[C@H](NC(=O)CCCO)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-9(14-12(16)3-2-8-15)10-4-6-11(13)7-5-10/h4-7,9,15H,2-3,8H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyMMPRTBMMIFNDOP-VIFPVBQESA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide
CID 81352741
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81349027
N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119685501
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide
CID 81354657
5-hydroxy-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356317
5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide
CID 81355860
4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559125
sodium 4-[1-(4-chlorophenyl)ethylamino]-4-oxobutanoate
CID 154832871
5-amino-N-[1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 82011641
N-[1-(4-tert-butylphenyl)ethyl]-5-hydroxypentanamide
CID 79198933

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide (CID 81354540) is N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide is C[C@H](NC(=O)CCCO)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide?
The InChIKey is MMPRTBMMIFNDOP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9(14-12(16)3-2-8-15)10-4-6-11(13)7-5-10/h4-7,9,15H,2-3,8H2,1H3,(H,14,16)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide has a molecular weight of 241.72 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide is sourced from PubChem (CID 81354540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).