N-(4-chlorophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide

C12H17ClN2O4 — CID 107852694

IUPACN-(4-chlorophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide
SMILESO=C(CNC(CO)(CO)CO)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O4/c13-9-1-3-10(4-2-9)15-11(19)5-14-12(6-16,7-17)8-18/h1-4,14,16-18H,5-8H2,(H,15,19)
InChIKeySPQHFWARUGSKJY-UHFFFAOYSA-N
MW288.73 g/mol
LogP-0.42
Rot. Bonds7

About N-(4-chlorophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide

N-(4-chlorophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide (PubChem CID 107852694) has the molecular formula C12H17ClN2O4 and a molecular weight of 288.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide
PubChem CID107852694
Molecular FormulaC12H17ClN2O4
Molecular Weight288.73 g/mol
Exact Mass288.09
IUPAC NameN-(4-chlorophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide
SMILESO=C(CNC(CO)(CO)CO)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O4/c13-9-1-3-10(4-2-9)15-11(19)5-14-12(6-16,7-17)8-18/h1-4,14,16-18H,5-8H2,(H,15,19)
InChIKeySPQHFWARUGSKJY-UHFFFAOYSA-N
XLogP-0.42
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 5-0.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide
CID 107852682
N-(4-chlorophenyl)-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]acetamide
CID 103911843
N-(4-chlorophenyl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
CID 106256392
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887
N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426
2-(3-ethylpentan-3-ylamino)-N-(4-methylphenyl)acetamide
CID 65039600
N-(4-chlorophenyl)-3,3-dimethylpentanamide
CID 18712252
N-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648
N-(4-chlorophenyl)-2-[[2-(hydroxymethyl)cyclopentyl]amino]acetamide
CID 106360931
N-(4-chlorophenyl)-4,4,4-trifluorobutanamide
CID 155941225
N-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide
CID 103698697
5-(4-chloroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 2732371

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide (CID 107852694) is N-(4-chlorophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide is O=C(CNC(CO)(CO)CO)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide?
The InChIKey is SPQHFWARUGSKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4/c13-9-1-3-10(4-2-9)15-11(19)5-14-12(6-16,7-17)8-18/h1-4,14,16-18H,5-8H2,(H,15,19).
What are the key properties of N-(4-chlorophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide?
N-(4-chlorophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide has a molecular weight of 288.73 g/mol, XLogP of -0.42, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetamide is sourced from PubChem (CID 107852694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).