N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide

C17H18ClNO2 — CID 113098409

IUPACN-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO2/c18-15-6-4-5-14(13-15)9-11-19-17(20)10-12-21-16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,19,20)
InChIKeyCCHGEIUVZRMDPF-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.47
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide

N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide (PubChem CID 113098409) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
PubChem CID113098409
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO2/c18-15-6-4-5-14(13-15)9-11-19-17(20)10-12-21-16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,19,20)
InChIKeyCCHGEIUVZRMDPF-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide
CID 113057079
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976
N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide
CID 110288608
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide
CID 32998656
4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid
CID 20991274
3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43428089

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide (CID 113098409) is N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide?
The InChIKey is CCHGEIUVZRMDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c18-15-6-4-5-14(13-15)9-11-19-17(20)10-12-21-16-7-2-1-3-8-16/h1-8,13H,9-12H2,(H,19,20).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide?
N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide has a molecular weight of 303.79 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 113098409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).