N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide

C12H16ClNO3 — CID 107623363

IUPACN-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide
SMILESCOc1cc(NC(=O)CCCCO)ccc1Cl
InChIInChI=1S/C12H16ClNO3/c1-17-11-8-9(5-6-10(11)13)14-12(16)4-2-3-7-15/h5-6,8,15H,2-4,7H2,1H3,(H,14,16)
InChIKeyRCNCZIQYLGRQNX-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.45
Rot. Bonds6

About N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide

N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide (PubChem CID 107623363) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide
PubChem CID107623363
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide
SMILESCOc1cc(NC(=O)CCCCO)ccc1Cl
InChIInChI=1S/C12H16ClNO3/c1-17-11-8-9(5-6-10(11)13)14-12(16)4-2-3-7-15/h5-6,8,15H,2-4,7H2,1H3,(H,14,16)
InChIKeyRCNCZIQYLGRQNX-UHFFFAOYSA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
5-hydroxy-N-(4-methoxy-3-methylphenyl)pentanamide
CID 79208943
4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
CID 107621685
N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide
CID 79199515
2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide
CID 79198792
2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide
CID 143179500
5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 107622131
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide (CID 107623363) is N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide is COc1cc(NC(=O)CCCCO)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide?
The InChIKey is RCNCZIQYLGRQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-17-11-8-9(5-6-10(11)13)14-12(16)4-2-3-7-15/h5-6,8,15H,2-4,7H2,1H3,(H,14,16).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide?
N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide has a molecular weight of 257.72 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide is sourced from PubChem (CID 107623363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).