N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide

C11H14Cl2N2O3 — CID 170830135

IUPACN-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H14Cl2N2O3/c1-5(16)15-4-9(17)11(18)10-7(12)2-6(14)3-8(10)13/h2-3,9,11,17-18H,4,14H2,1H3,(H,15,16)
InChIKeyGBTJDNJOXALRNE-UHFFFAOYSA-N
MW293.15 g/mol
LogP1.11
Rot. Bonds4

About N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170830135) has the molecular formula C11H14Cl2N2O3 and a molecular weight of 293.15 g/mol. Its IUPAC name is N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170830135
Molecular FormulaC11H14Cl2N2O3
Molecular Weight293.15 g/mol
Exact Mass292.04
IUPAC NameN-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H14Cl2N2O3/c1-5(16)15-4-9(17)11(18)10-7(12)2-6(14)3-8(10)13/h2-3,9,11,17-18H,4,14H2,1H3,(H,15,16)
InChIKeyGBTJDNJOXALRNE-UHFFFAOYSA-N
XLogP1.11
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830904
N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829889
N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide
CID 170829873
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
N-[3-(4-amino-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830189
N-[3-(5-amino-6-chloro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829700
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
N-[3-(6-amino-2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830131
N-[3-(3-chloro-4-hydroxy-5-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829972
N-[3-(2-amino-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830174
N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
CID 170829471
N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830125

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide (CID 170830135) is N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is GBTJDNJOXALRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3/c1-5(16)15-4-9(17)11(18)10-7(12)2-6(14)3-8(10)13/h2-3,9,11,17-18H,4,14H2,1H3,(H,15,16).
What are the key properties of N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 293.15 g/mol, XLogP of 1.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).