(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide

C19H20ClNO3 — CID 8887384

IUPAC(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO3/c1-3-12-21-19(23)13(2)24-17-10-6-15(7-11-17)18(22)14-4-8-16(20)9-5-14/h4-11,13H,3,12H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyFYUPNVRVBANVGT-CYBMUJFWSA-N
MW345.83 g/mol
LogP3.86
Rot. Bonds7

About (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide

(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide (PubChem CID 8887384) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
PubChem CID8887384
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO3/c1-3-12-21-19(23)13(2)24-17-10-6-15(7-11-17)18(22)14-4-8-16(20)9-5-14/h4-11,13H,3,12H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyFYUPNVRVBANVGT-CYBMUJFWSA-N
XLogP3.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
CID 108541480
(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 8887369
N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4815395
4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide
CID 134039933
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
(3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one
CID 94185711
(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
CID 41368435
2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide
CID 154646156
[4-[2-[2-(4-chlorophenoxy)propanoylamino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108929802
2-(4-chlorophenoxy)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 18145731
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide?
The IUPAC name of (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide (CID 8887384) is (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide is CCCNC(=O)[C@@H](C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide?
The InChIKey is FYUPNVRVBANVGT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-3-12-21-19(23)13(2)24-17-10-6-15(7-11-17)18(22)14-4-8-16(20)9-5-14/h4-11,13H,3,12H2,1-2H3,(H,21,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide?
(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide has a molecular weight of 345.83 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide is sourced from PubChem (CID 8887384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).