N-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide

C12H16ClNO3 — CID 117397884

IUPACN-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide
SMILESCOc1ccc(Cl)c(CCCO)c1NC(C)=O
InChIInChI=1S/C12H16ClNO3/c1-8(16)14-12-9(4-3-7-15)10(13)5-6-11(12)17-2/h5-6,15H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyPUMHHBSCUHVEBQ-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.23
Rot. Bonds5

About N-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide

N-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide (PubChem CID 117397884) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide
PubChem CID117397884
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide
SMILESCOc1ccc(Cl)c(CCCO)c1NC(C)=O
InChIInChI=1S/C12H16ClNO3/c1-8(16)14-12-9(4-3-7-15)10(13)5-6-11(12)17-2/h5-6,15H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyPUMHHBSCUHVEBQ-UHFFFAOYSA-N
XLogP2.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-acetamido-6-chloro-3-methoxyphenyl)butanoic acid
CID 117460217
3-(2-acetamido-6-chloro-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117482668
3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol
CID 117322230
3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol
CID 117305992
N-[3-bromo-6-methoxy-2-(3-oxopropyl)phenyl]acetamide
CID 117483193
N-[2-(1-aminocyclopentyl)-3-chloro-6-methoxyphenyl]acetamide
CID 117454668
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
CID 117400668
1-chloro-2-ethyl-4-methoxy-3-methylbenzene
CID 118491478
(2,3-dichloro-6-methoxyphenyl)methanol
CID 130133361
N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide
CID 107623363
3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol
CID 117363864
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol
CID 117363862

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide?
The IUPAC name of N-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide (CID 117397884) is N-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide is COc1ccc(Cl)c(CCCO)c1NC(C)=O.
What is the InChIKey of N-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide?
The InChIKey is PUMHHBSCUHVEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8(16)14-12-9(4-3-7-15)10(13)5-6-11(12)17-2/h5-6,15H,3-4,7H2,1-2H3,(H,14,16).
What are the key properties of N-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide?
N-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide has a molecular weight of 257.72 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide is sourced from PubChem (CID 117397884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).