(2S)-N-[(1R)-1-cyclopropyl-2-methoxyethyl]-2-(3,5-dichlorophenyl)-2-hydroxyacetamide

C14H17Cl2NO3 — CID 97330227

IUPAC(2S)-N-[(1R)-1-cyclopropyl-2-methoxyethyl]-2-(3,5-dichlorophenyl)-2-hydroxyacetamide
SMILESCOC[C@H](NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C14H17Cl2NO3/c1-20-7-12(8-2-3-8)17-14(19)13(18)9-4-10(15)6-11(16)5-9/h4-6,8,12-13,18H,2-3,7H2,1H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyYCGKCOPNUUFEBB-STQMWFEESA-N
MW318.20 g/mol
LogP2.57
Rot. Bonds6

About (2S)-N-[(1R)-1-cyclopropyl-2-methoxyethyl]-2-(3,5-dichlorophenyl)-2-hydroxyacetamide

(2S)-N-[(1R)-1-cyclopropyl-2-methoxyethyl]-2-(3,5-dichlorophenyl)-2-hydroxyacetamide (PubChem CID 97330227) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-cyclopropyl-2-methoxyethyl]-2-(3,5-dichlorophenyl)-2-hydroxyacetamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-cyclopropyl-2-methoxyethyl]-2-(3,5-dichlorophenyl)-2-hydroxyacetamide
PubChem CID97330227
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name(2S)-N-[(1R)-1-cyclopropyl-2-methoxyethyl]-2-(3,5-dichlorophenyl)-2-hydroxyacetamide
SMILESCOC[C@H](NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)C1CC1
InChIInChI=1S/C14H17Cl2NO3/c1-20-7-12(8-2-3-8)17-14(19)13(18)9-4-10(15)6-11(16)5-9/h4-6,8,12-13,18H,2-3,7H2,1H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyYCGKCOPNUUFEBB-STQMWFEESA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(1R)-1-cyclopropyl-2-methoxyethyl]-2-(3,5-dichlorophenyl)-2-hydroxyacetamide 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

N-(1-cyclopropyl-2-methoxyethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide
CID 75436958
3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide
CID 120504495
N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3,5,6-tetrafluorobenzamide
CID 97062740
2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide
CID 120801790
4-[2-(aminomethyl)phenyl]-N-(1-cyclopropyl-2-methoxyethyl)benzamide
CID 166270357
3,5-dichloro-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30481549
N-(2-amino-1-cyclopropylethyl)-2-(3,5-dichlorophenoxy)acetamide
CID 119614628
methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
CID 117305837
(2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol
CID 104981008
2-(1-cyclopropylpropylamino)-3-methoxypropanamide
CID 115929773
N-(1-cyano-2-methylcyclopentyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide
CID 110028390
1-(3,5-dichlorophenyl)-2-methoxyethanamine
CID 112693325

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-cyclopropyl-2-methoxyethyl]-2-(3,5-dichlorophenyl)-2-hydroxyacetamide?
The IUPAC name of (2S)-N-[(1R)-1-cyclopropyl-2-methoxyethyl]-2-(3,5-dichlorophenyl)-2-hydroxyacetamide (CID 97330227) is (2S)-N-[(1R)-1-cyclopropyl-2-methoxyethyl]-2-(3,5-dichlorophenyl)-2-hydroxyacetamide.
What is the SMILES notation for (2S)-N-[(1R)-1-cyclopropyl-2-methoxyethyl]-2-(3,5-dichlorophenyl)-2-hydroxyacetamide?
The canonical SMILES for (2S)-N-[(1R)-1-cyclopropyl-2-methoxyethyl]-2-(3,5-dichlorophenyl)-2-hydroxyacetamide is COC[C@H](NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)C1CC1.
What is the InChIKey of (2S)-N-[(1R)-1-cyclopropyl-2-methoxyethyl]-2-(3,5-dichlorophenyl)-2-hydroxyacetamide?
The InChIKey is YCGKCOPNUUFEBB-STQMWFEESA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-20-7-12(8-2-3-8)17-14(19)13(18)9-4-10(15)6-11(16)5-9/h4-6,8,12-13,18H,2-3,7H2,1H3,(H,17,19)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-[(1R)-1-cyclopropyl-2-methoxyethyl]-2-(3,5-dichlorophenyl)-2-hydroxyacetamide?
(2S)-N-[(1R)-1-cyclopropyl-2-methoxyethyl]-2-(3,5-dichlorophenyl)-2-hydroxyacetamide has a molecular weight of 318.20 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-cyclopropyl-2-methoxyethyl]-2-(3,5-dichlorophenyl)-2-hydroxyacetamide is sourced from PubChem (CID 97330227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).