(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanoethyl)-N-methylpropanamide

C20H19ClN2O3 — CID 8887404

IUPAC(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanoethyl)-N-methylpropanamide
SMILESC[C@@H](Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)N(C)CCC#N
InChIInChI=1S/C20H19ClN2O3/c1-14(20(25)23(2)13-3-12-22)26-18-10-6-16(7-11-18)19(24)15-4-8-17(21)9-5-15/h4-11,14H,3,13H2,1-2H3/t14-/m1/s1
InChIKeyPYEWWHUSXHSUIU-CQSZACIVSA-N
MW370.84 g/mol
LogP3.71
Rot. Bonds7

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

(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanoethyl)-N-methylpropanamide (PubChem CID 8887404) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanoethyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanoethyl)-N-methylpropanamide
PubChem CID8887404
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanoethyl)-N-methylpropanamide
SMILESC[C@@H](Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)N(C)CCC#N
InChIInChI=1S/C20H19ClN2O3/c1-14(20(25)23(2)13-3-12-22)26-18-10-6-16(7-11-18)19(24)15-4-8-17(21)9-5-15/h4-11,14H,3,13H2,1-2H3/t14-/m1/s1
InChIKeyPYEWWHUSXHSUIU-CQSZACIVSA-N
XLogP3.71
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-cyanoethyl)-N-methyl-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384304
(3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one
CID 94185711
2-(4-chloroanilino)-N-(2-cyanoethyl)-N-methylpropanamide
CID 86910162
[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 8978281
(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
CID 8887384
[(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387313
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide
CID 99643676
(2R)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]propanamide
CID 41368435
N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 63391336
(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 8887369
N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4815395
2-(4-cyanophenoxy)-N-methyl-N-(2-phenoxyethyl)propanamide
CID 51156822

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanoethyl)-N-methylpropanamide?
The IUPAC name of (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanoethyl)-N-methylpropanamide (CID 8887404) is (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanoethyl)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanoethyl)-N-methylpropanamide?
The canonical SMILES for (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanoethyl)-N-methylpropanamide is C[C@@H](Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)N(C)CCC#N.
What is the InChIKey of (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanoethyl)-N-methylpropanamide?
The InChIKey is PYEWWHUSXHSUIU-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-14(20(25)23(2)13-3-12-22)26-18-10-6-16(7-11-18)19(24)15-4-8-17(21)9-5-15/h4-11,14H,3,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanoethyl)-N-methylpropanamide?
(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanoethyl)-N-methylpropanamide has a molecular weight of 370.84 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanoethyl)-N-methylpropanamide is sourced from PubChem (CID 8887404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).