2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide

C13H19ClN2O2 — CID 114845389

IUPAC2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1ccc(Cl)cc1CO
InChIInChI=1S/C13H19ClN2O2/c1-3-6-15-13(18)8-16(2)12-5-4-11(14)7-10(12)9-17/h4-5,7,17H,3,6,8-9H2,1-2H3,(H,15,18)
InChIKeyDURSXVQOJMWQJY-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.79
Rot. Bonds6

About 2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide

2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide (PubChem CID 114845389) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide
PubChem CID114845389
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1ccc(Cl)cc1CO
InChIInChI=1S/C13H19ClN2O2/c1-3-6-15-13(18)8-16(2)12-5-4-11(14)7-10(12)9-17/h4-5,7,17H,3,6,8-9H2,1-2H3,(H,15,18)
InChIKeyDURSXVQOJMWQJY-UHFFFAOYSA-N
XLogP1.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide
CID 55180596
2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide
CID 114849378
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide
CID 114848185
2-[4-chloro-N-methyl-2-[(2-methylpropylamino)methyl]anilino]-N-ethylacetamide
CID 114849464
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 114850041
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
2-(4-carbamothioyl-2-fluoro-N-methylanilino)-N-propylacetamide
CID 61452418
[5-chloro-2-[2,2-dimethylpropyl(methyl)amino]phenyl]methanol
CID 114845501
2-(N-acetyl-4-chloroanilino)-N-propylacetamide
CID 113171472
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol
CID 114848634

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide?
The IUPAC name of 2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide (CID 114845389) is 2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide.
What is the SMILES notation for 2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide?
The canonical SMILES for 2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide is CCCNC(=O)CN(C)c1ccc(Cl)cc1CO.
What is the InChIKey of 2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide?
The InChIKey is DURSXVQOJMWQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-6-15-13(18)8-16(2)12-5-4-11(14)7-10(12)9-17/h4-5,7,17H,3,6,8-9H2,1-2H3,(H,15,18).
What are the key properties of 2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide?
2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide has a molecular weight of 270.76 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide is sourced from PubChem (CID 114845389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).