2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide

C12H17ClN2O2 — CID 54989045

IUPAC2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide
SMILESCC(C)N(CC(N)=O)c1cccc(Cl)c1CO
InChIInChI=1S/C12H17ClN2O2/c1-8(2)15(6-12(14)17)11-5-3-4-10(13)9(11)7-16/h3-5,8,16H,6-7H2,1-2H3,(H2,14,17)
InChIKeyURYRIHFBXSSYQV-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.53
Rot. Bonds5

About 2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide

2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide (PubChem CID 54989045) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide
PubChem CID54989045
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide
SMILESCC(C)N(CC(N)=O)c1cccc(Cl)c1CO
InChIInChI=1S/C12H17ClN2O2/c1-8(2)15(6-12(14)17)11-5-3-4-10(13)9(11)7-16/h3-5,8,16H,6-7H2,1-2H3,(H2,14,17)
InChIKeyURYRIHFBXSSYQV-UHFFFAOYSA-N
XLogP1.53
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-2-(ethylaminomethyl)-N-propan-2-ylanilino]acetamide
CID 54989235
2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide
CID 63072064
[2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol
CID 55010201
[2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol
CID 63541422
2-[4-(aminomethyl)-2-chloro-N-propan-2-ylanilino]acetamide
CID 63088349
2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986481
2-[2-[(1R)-1-hydroxypropyl]-N-propan-2-ylanilino]acetamide
CID 113358980
2-(4-carbamothioyl-2-chloro-N-propan-2-ylanilino)acetamide
CID 63087470
(E)-3-[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]phenyl]prop-2-enoic acid
CID 54988857
2-(3-chloro-N-ethylsulfonyl-2-methylanilino)acetamide
CID 50895476
2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline
CID 63784223
dimethyl 2-[(2,6-dichlorophenyl)methyl]propanedioate
CID 103972399

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide?
The IUPAC name of 2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide (CID 54989045) is 2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide.
What is the SMILES notation for 2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide?
The canonical SMILES for 2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide is CC(C)N(CC(N)=O)c1cccc(Cl)c1CO.
What is the InChIKey of 2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide?
The InChIKey is URYRIHFBXSSYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8(2)15(6-12(14)17)11-5-3-4-10(13)9(11)7-16/h3-5,8,16H,6-7H2,1-2H3,(H2,14,17).
What are the key properties of 2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide?
2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide has a molecular weight of 256.73 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide is sourced from PubChem (CID 54989045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).