2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide

C18H20ClNO2 — CID 43911516

IUPAC2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(C)Oc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H20ClNO2/c1-3-17(14-7-5-4-6-8-14)20-18(21)13(2)22-16-11-9-15(19)10-12-16/h4-13,17H,3H2,1-2H3,(H,20,21)
InChIKeyULMVJVBENWRWSY-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.37
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide

2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide (PubChem CID 43911516) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide
PubChem CID43911516
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(C)Oc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H20ClNO2/c1-3-17(14-7-5-4-6-8-14)20-18(21)13(2)22-16-11-9-15(19)10-12-16/h4-13,17H,3H2,1-2H3,(H,20,21)
InChIKeyULMVJVBENWRWSY-UHFFFAOYSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 99130933
(2S)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 99130932
2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide
CID 17328049
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 30394470
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 93234576
(2S)-2-(3-methoxyphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 28574627
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920103
(2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100672901
(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
CID 41198910
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 43877208
(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28580247

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide (CID 43911516) is 2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide is CCC(NC(=O)C(C)Oc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide?
The InChIKey is ULMVJVBENWRWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-3-17(14-7-5-4-6-8-14)20-18(21)13(2)22-16-11-9-15(19)10-12-16/h4-13,17H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide?
2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide has a molecular weight of 317.82 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide is sourced from PubChem (CID 43911516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).