N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide

C13H18ClNO2 — CID 79018968

IUPACN-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide
SMILESCc1cc(C)c(NC(=O)CCCCO)c(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-9-7-10(2)13(11(14)8-9)15-12(17)5-3-4-6-16/h7-8,16H,3-6H2,1-2H3,(H,15,17)
InChIKeySWDKENZMZPQKDX-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.06
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide

N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide (PubChem CID 79018968) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide
PubChem CID79018968
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide
SMILESCc1cc(C)c(NC(=O)CCCCO)c(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-9-7-10(2)13(11(14)8-9)15-12(17)5-3-4-6-16/h7-8,16H,3-6H2,1-2H3,(H,15,17)
InChIKeySWDKENZMZPQKDX-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.06
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

2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
CID 112998242
N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
CID 109034461
3-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466438
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 108995128
N'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide
CID 108941280
4-bromo-N-(2,4,6-trimethylphenyl)butanamide
CID 18423533
N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide
CID 109013703
N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 110688490
2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]sulfanylacetic acid
CID 43237551

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide (CID 79018968) is N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide is Cc1cc(C)c(NC(=O)CCCCO)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide?
The InChIKey is SWDKENZMZPQKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9-7-10(2)13(11(14)8-9)15-12(17)5-3-4-6-16/h7-8,16H,3-6H2,1-2H3,(H,15,17).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide?
N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide has a molecular weight of 255.74 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide is sourced from PubChem (CID 79018968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).