2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide

C13H19ClN2O2 — CID 78940268

IUPAC2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccc([C@H](C)O)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-4-16(8-13(18)15-3)12-6-5-10(9(2)17)7-11(12)14/h5-7,9,17H,4,8H2,1-3H3,(H,15,18)/t9-/m0/s1
InChIKeyVONVBBVFERYQSX-VIFPVBQESA-N
MW270.76 g/mol
LogP1.97
Rot. Bonds5

About 2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide

2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide (PubChem CID 78940268) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
PubChem CID78940268
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccc([C@H](C)O)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-4-16(8-13(18)15-3)12-6-5-10(9(2)17)7-11(12)14/h5-7,9,17H,4,8H2,1-3H3,(H,15,18)/t9-/m0/s1
InChIKeyVONVBBVFERYQSX-VIFPVBQESA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-chloro-N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-N-propan-2-ylacetamide
CID 63371225
2-[N-ethyl-2-fluoro-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940251
2-[2-bromo-N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940265
(1S)-1-[3-chloro-4-[ethyl(2-methylpropyl)amino]phenyl]ethanol
CID 78939599
(1S)-1-[3-chloro-4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 78939886
(1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol
CID 63540939
(1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 78954482
2-[N-butyl-2-chloro-4-[(1R)-1-hydroxyethyl]anilino]acetamide
CID 78940689
2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 63371338
(1S)-1-[3-chloro-4-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 55184297
2-[5-bromo-N-ethyl-2-(1-hydroxyethyl)anilino]-N-methylacetamide
CID 82969371
(1S)-1-[4-[bis(prop-2-enyl)amino]-3-chlorophenyl]ethanol
CID 78939072

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide?
The IUPAC name of 2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide (CID 78940268) is 2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide.
What is the SMILES notation for 2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide?
The canonical SMILES for 2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide is CCN(CC(=O)NC)c1ccc([C@H](C)O)cc1Cl.
What is the InChIKey of 2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide?
The InChIKey is VONVBBVFERYQSX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-16(8-13(18)15-3)12-6-5-10(9(2)17)7-11(12)14/h5-7,9,17H,4,8H2,1-3H3,(H,15,18)/t9-/m0/s1.
What are the key properties of 2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide?
2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide has a molecular weight of 270.76 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide is sourced from PubChem (CID 78940268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).