N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide

C14H20ClNO2 — CID 79199126

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)CCCCO
InChIInChI=1S/C14H20ClNO2/c1-11(16-14(18)4-2-3-9-17)10-12-5-7-13(15)8-6-12/h5-8,11,17H,2-4,9-10H2,1H3,(H,16,18)
InChIKeySKSFVDNFFMKZGP-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.55
Rot. Bonds7

About N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide

N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide (PubChem CID 79199126) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide
PubChem CID79199126
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)CCCCO
InChIInChI=1S/C14H20ClNO2/c1-11(16-14(18)4-2-3-9-17)10-12-5-7-13(15)8-6-12/h5-8,11,17H,2-4,9-10H2,1H3,(H,16,18)
InChIKeySKSFVDNFFMKZGP-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79200504
6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide
CID 43700876
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-2-methoxyacetamide
CID 51948159
4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide
CID 82109331
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
CID 60769951
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81354540
4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 63308194
2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide
CID 60860440
N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51949788
4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride
CID 138397977
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 54852739

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide (CID 79199126) is N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide is CC(Cc1ccc(Cl)cc1)NC(=O)CCCCO.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide?
The InChIKey is SKSFVDNFFMKZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11(16-14(18)4-2-3-9-17)10-12-5-7-13(15)8-6-12/h5-8,11,17H,2-4,9-10H2,1H3,(H,16,18).
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide?
N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide has a molecular weight of 269.77 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide is sourced from PubChem (CID 79199126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).