N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide

C13H19ClN2O2 — CID 112706053

IUPACN-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(C)CO)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-9-4-5-11(6-12(9)14)15-13(18)7-16(3)10(2)8-17/h4-6,10,17H,7-8H2,1-3H3,(H,15,18)
InChIKeyGEACZYFILUQIKO-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.90
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide

N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide (PubChem CID 112706053) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
PubChem CID112706053
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(C)CO)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-9-4-5-11(6-12(9)14)15-13(18)7-16(3)10(2)8-17/h4-6,10,17H,7-8H2,1-3H3,(H,15,18)
InChIKeyGEACZYFILUQIKO-UHFFFAOYSA-N
XLogP1.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-hydroxypropan-2-yl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 115772236
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
(3S)-3-[[2-(4-chloro-3-methylanilino)-2-oxoethyl]-methylamino]-N-methylbutanamide
CID 124749263
N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464468
N-(3-chloro-4-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115669605
N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706093
methyl 3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62013625
(2S)-2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194812
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 109007872
2-[acetyl(3-methylbutyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113166573
ethyl 3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62013382
N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide
CID 60663237

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide (CID 112706053) is N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide is Cc1ccc(NC(=O)CN(C)C(C)CO)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide?
The InChIKey is GEACZYFILUQIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9-4-5-11(6-12(9)14)15-13(18)7-16(3)10(2)8-17/h4-6,10,17H,7-8H2,1-3H3,(H,15,18).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide?
N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide has a molecular weight of 270.76 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide is sourced from PubChem (CID 112706053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).