3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide

C14H19ClN2O3 — CID 115649428

IUPAC3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C14H19ClN2O3/c1-20-10-9-16-12(18)7-8-17-14(19)13(15)11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyWLUYOHKNOXCAOD-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.24
Rot. Bonds8

About 3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide

3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 115649428) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID115649428
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C14H19ClN2O3/c1-20-10-9-16-12(18)7-8-17-14(19)13(15)11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyWLUYOHKNOXCAOD-UHFFFAOYSA-N
XLogP1.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide 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-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61251247
2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide
CID 82110533
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103795836
2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 106591770
1-benzhydryl-3-(2-methoxyethyl)urea
CID 108867401
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
2-chloro-N-(2-cyclopentyloxyethyl)-2-phenylacetamide
CID 63826472
2-methoxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 112686354
2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide
CID 43310552
2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 62640904
N-(2-methoxyethyl)-2-(1-phenylpropylamino)acetamide
CID 54845797

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide (CID 115649428) is 3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNC(=O)C(Cl)c1ccccc1.
What is the InChIKey of 3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is WLUYOHKNOXCAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-20-10-9-16-12(18)7-8-17-14(19)13(15)11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide?
3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 298.77 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115649428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).