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

C11H14ClNO2 — CID 131843314

IUPACN-(3-chloro-2-hydroxypropyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(O)CCl
InChIInChI=1S/C11H14ClNO2/c12-7-10(14)8-13-11(15)6-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,15)
InChIKeyCXTISANFTHFEGK-UHFFFAOYSA-N
MW227.69 g/mol
LogP0.94
Rot. Bonds5

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

N-(3-chloro-2-hydroxypropyl)-2-phenylacetamide (PubChem CID 131843314) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is N-(3-chloro-2-hydroxypropyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-chloro-2-hydroxypropyl)-2-phenylacetamide
PubChem CID131843314
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC NameN-(3-chloro-2-hydroxypropyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(O)CCl
InChIInChI=1S/C11H14ClNO2/c12-7-10(14)8-13-11(15)6-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,15)
InChIKeyCXTISANFTHFEGK-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-phenylacetamide
CID 99903624
2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367827
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
N-[(2R)-2-amino-3-phenylpropyl]-2-phenylacetamide
CID 42645987
N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide
CID 66969308
N-benzyl-3-[(3-chloro-2-hydroxypropyl)amino]benzamide
CID 168639394
N-[(2R)-2-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide
CID 95379088
2-(4-chlorophenyl)-N-[3-(dimethylamino)-2-hydroxypropyl]acetamide
CID 110281459
1-anilino-3-chloropropan-2-ol
CID 3640254
2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide
CID 98622782
benzyl [3-[(2-chloroacetyl)amino]-2-hydroxypropyl] carbonate
CID 139815139
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide
CID 95986654

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-hydroxypropyl)-2-phenylacetamide?
The IUPAC name of N-(3-chloro-2-hydroxypropyl)-2-phenylacetamide (CID 131843314) is N-(3-chloro-2-hydroxypropyl)-2-phenylacetamide.
What is the SMILES notation for N-(3-chloro-2-hydroxypropyl)-2-phenylacetamide?
The canonical SMILES for N-(3-chloro-2-hydroxypropyl)-2-phenylacetamide is O=C(Cc1ccccc1)NCC(O)CCl.
What is the InChIKey of N-(3-chloro-2-hydroxypropyl)-2-phenylacetamide?
The InChIKey is CXTISANFTHFEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-7-10(14)8-13-11(15)6-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,15).
What are the key properties of N-(3-chloro-2-hydroxypropyl)-2-phenylacetamide?
N-(3-chloro-2-hydroxypropyl)-2-phenylacetamide has a molecular weight of 227.69 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-hydroxypropyl)-2-phenylacetamide is sourced from PubChem (CID 131843314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).