N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide

C13H18ClNO3 — CID 170829889

IUPACN-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1c(C)cc(Cl)cc1C
InChIInChI=1S/C13H18ClNO3/c1-7-4-10(14)5-8(2)12(7)13(18)11(17)6-15-9(3)16/h4-5,11,13,17-18H,6H2,1-3H3,(H,15,16)
InChIKeyYUIGPGANEPHIRL-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.49
Rot. Bonds4

About N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170829889) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170829889
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameN-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1c(C)cc(Cl)cc1C
InChIInChI=1S/C13H18ClNO3/c1-7-4-10(14)5-8(2)12(7)13(18)11(17)6-15-9(3)16/h4-5,11,13,17-18H,6H2,1-3H3,(H,15,16)
InChIKeyYUIGPGANEPHIRL-UHFFFAOYSA-N
XLogP1.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830135
N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide
CID 170829873
S-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821765
N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830904
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
N-[3-(3-chloro-4-hydroxy-5-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829972
N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830014
N-[3-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829808
N-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831127
N-[3-(3-bromo-4-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831130
N-[3-(6-amino-2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830131
N-[2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propyl]acetamide
CID 170830397

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide (CID 170829889) is N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1c(C)cc(Cl)cc1C.
What is the InChIKey of N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is YUIGPGANEPHIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-7-4-10(14)5-8(2)12(7)13(18)11(17)6-15-9(3)16/h4-5,11,13,17-18H,6H2,1-3H3,(H,15,16).
What are the key properties of N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 271.74 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170829889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).