N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide

C11H12Cl3NO3 — CID 170829873

IUPACN-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C11H12Cl3NO3/c1-5(16)15-4-9(17)11(18)7-2-6(12)3-8(13)10(7)14/h2-3,9,11,17-18H,4H2,1H3,(H,15,16)
InChIKeyKQCCIHYHLNUJMT-UHFFFAOYSA-N
MW312.58 g/mol
LogP2.18
Rot. Bonds4

About N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide

N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide (PubChem CID 170829873) has the molecular formula C11H12Cl3NO3 and a molecular weight of 312.58 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide
PubChem CID170829873
Molecular FormulaC11H12Cl3NO3
Molecular Weight312.58 g/mol
Exact Mass310.99
IUPAC NameN-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C11H12Cl3NO3/c1-5(16)15-4-9(17)11(18)7-2-6(12)3-8(13)10(7)14/h2-3,9,11,17-18H,4H2,1H3,(H,15,16)
InChIKeyKQCCIHYHLNUJMT-UHFFFAOYSA-N
XLogP2.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.58
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830014
N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829889
N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830135
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
4-(3-acetamido-1,2-dihydroxypropyl)-2-chloro-5-fluorobenzoic acid
CID 170830634
N-[3-(2-chloro-4-cyanophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830078
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
3-(3-acetamido-1,2-dihydroxypropyl)-2-chlorobenzoic acid
CID 170830322
N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830904
N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170831311
N-[3-(3-chloro-4-hydroxy-5-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829972
N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829633

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide (CID 170829873) is N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide is CC(=O)NCC(O)C(O)c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide?
The InChIKey is KQCCIHYHLNUJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO3/c1-5(16)15-4-9(17)11(18)7-2-6(12)3-8(13)10(7)14/h2-3,9,11,17-18H,4H2,1H3,(H,15,16).
What are the key properties of N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide?
N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide has a molecular weight of 312.58 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide is sourced from PubChem (CID 170829873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).