N-(2-chloro-1-phenylethyl)-3-phenoxypropanamide

C17H18ClNO2 — CID 114300023

IUPACN-(2-chloro-1-phenylethyl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NC(CCl)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c18-13-16(14-7-3-1-4-8-14)19-17(20)11-12-21-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)
InChIKeyRQHRTJKOVVXFDJ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.55
Rot. Bonds7

About N-(2-chloro-1-phenylethyl)-3-phenoxypropanamide

N-(2-chloro-1-phenylethyl)-3-phenoxypropanamide (PubChem CID 114300023) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-3-phenoxypropanamide
PubChem CID114300023
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(2-chloro-1-phenylethyl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NC(CCl)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c18-13-16(14-7-3-1-4-8-14)19-17(20)11-12-21-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)
InChIKeyRQHRTJKOVVXFDJ-UHFFFAOYSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(1,2-diphenylethylamino)-3-oxopropyl] 2-phenoxyacetate
CID 67561994
3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 110931199
N-(2-chloro-1-phenylethyl)octanamide
CID 113272309
N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide
CID 114300105
N-(1-bromopropan-2-yl)-3-phenoxypropanamide
CID 114310403
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132
N-[2-oxo-2-(1-phenylethylamino)ethyl]-3-phenoxypropanamide
CID 112992328
N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenoxyacetamide
CID 39370051
N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide
CID 93032349
5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 107862734
N-(1-cyanopropyl)-3-phenoxypropanamide
CID 61119277

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-3-phenoxypropanamide?
The IUPAC name of N-(2-chloro-1-phenylethyl)-3-phenoxypropanamide (CID 114300023) is N-(2-chloro-1-phenylethyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-3-phenoxypropanamide?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-3-phenoxypropanamide is O=C(CCOc1ccccc1)NC(CCl)c1ccccc1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-3-phenoxypropanamide?
The InChIKey is RQHRTJKOVVXFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c18-13-16(14-7-3-1-4-8-14)19-17(20)11-12-21-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20).
What are the key properties of N-(2-chloro-1-phenylethyl)-3-phenoxypropanamide?
N-(2-chloro-1-phenylethyl)-3-phenoxypropanamide has a molecular weight of 303.79 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)-3-phenoxypropanamide is sourced from PubChem (CID 114300023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).