2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide

C11H14ClNO2 — CID 4133404

IUPAC2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
SMILESO=C(NCCCO)C(Cl)c1ccccc1
InChIInChI=1S/C11H14ClNO2/c12-10(9-5-2-1-3-6-9)11(15)13-7-4-8-14/h1-3,5-6,10,14H,4,7-8H2,(H,13,15)
InChIKeyCFRJCVAWZCDIMV-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.47
Rot. Bonds5

About 2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide

2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide (PubChem CID 4133404) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
PubChem CID4133404
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
SMILESO=C(NCCCO)C(Cl)c1ccccc1
InChIInChI=1S/C11H14ClNO2/c12-10(9-5-2-1-3-6-9)11(15)13-7-4-8-14/h1-3,5-6,10,14H,4,7-8H2,(H,13,15)
InChIKeyCFRJCVAWZCDIMV-UHFFFAOYSA-N
XLogP1.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61251247
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 61251743
2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide
CID 43310552
2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 61239080
2-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 62640904
2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide
CID 43168069
2-amino-N-(5-hydroxypentyl)-2-phenylacetamide
CID 69266542
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
CID 43697641
3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide
CID 115649428
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide
CID 61251452
3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide
CID 114167195

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide (CID 4133404) is 2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide is O=C(NCCCO)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide?
The InChIKey is CFRJCVAWZCDIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-10(9-5-2-1-3-6-9)11(15)13-7-4-8-14/h1-3,5-6,10,14H,4,7-8H2,(H,13,15).
What are the key properties of 2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide?
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide has a molecular weight of 227.69 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide is sourced from PubChem (CID 4133404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).