2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide

C14H21ClN2O2 — CID 54986481

IUPAC2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1cccc(Cl)c1CO
InChIInChI=1S/C14H21ClN2O2/c1-4-17(8-14(19)16-10(2)3)13-7-5-6-12(15)11(13)9-18/h5-7,10,18H,4,8-9H2,1-3H3,(H,16,19)
InChIKeyCDZUHDVEGPPCSA-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.18
Rot. Bonds6

About 2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide

2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide (PubChem CID 54986481) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
PubChem CID54986481
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1cccc(Cl)c1CO
InChIInChI=1S/C14H21ClN2O2/c1-4-17(8-14(19)16-10(2)3)13-7-5-6-12(15)11(13)9-18/h5-7,10,18H,4,8-9H2,1-3H3,(H,16,19)
InChIKeyCDZUHDVEGPPCSA-UHFFFAOYSA-N
XLogP2.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide
CID 114879565
2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide
CID 54986290
[2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol
CID 63541422
2-[2-chloro-N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-N-propan-2-ylacetamide
CID 63371225
2-amino-3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid
CID 115545429
1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol
CID 79387897
2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
CID 54985902
2-[3-chloro-2-(hydroxymethyl)-N-propan-2-ylanilino]acetamide
CID 54989045
2-(2-carbamothioyl-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide
CID 79512883
2-(4-carbamothioyl-2-chloro-N-ethylanilino)-N-propan-2-ylacetamide
CID 63087465
2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide
CID 63081108
2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80805603

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide (CID 54986481) is 2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1cccc(Cl)c1CO.
What is the InChIKey of 2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide?
The InChIKey is CDZUHDVEGPPCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-17(8-14(19)16-10(2)3)13-7-5-6-12(15)11(13)9-18/h5-7,10,18H,4,8-9H2,1-3H3,(H,16,19).
What are the key properties of 2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide?
2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide has a molecular weight of 284.79 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 54986481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).