(2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

C19H22ClNO3 — CID 28635676

IUPAC(2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCC(C)Oc1ccc(CNC(=O)[C@H](C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClNO3/c1-13(2)23-16-10-8-15(9-11-16)12-21-19(22)14(3)24-18-7-5-4-6-17(18)20/h4-11,13-14H,12H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyNWFMPXXUMONKLY-AWEZNQCLSA-N
MW347.84 g/mol
LogP4.21
Rot. Bonds7

About (2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

(2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 28635676) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID28635676
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCC(C)Oc1ccc(CNC(=O)[C@H](C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClNO3/c1-13(2)23-16-10-8-15(9-11-16)12-21-19(22)14(3)24-18-7-5-4-6-17(18)20/h4-11,13-14H,12H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyNWFMPXXUMONKLY-AWEZNQCLSA-N
XLogP4.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 26529894
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282907
2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 43058982
(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015153
2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245
(2R)-N-benzyl-2-(2,3-dichlorophenoxy)propanamide
CID 7542636
2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide
CID 60528119
(2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 39643721
2-(2-chlorophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282971
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (CID 28635676) is (2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is CC(C)Oc1ccc(CNC(=O)[C@H](C)Oc2ccccc2Cl)cc1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is NWFMPXXUMONKLY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-13(2)23-16-10-8-15(9-11-16)12-21-19(22)14(3)24-18-7-5-4-6-17(18)20/h4-11,13-14H,12H2,1-3H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
(2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 347.84 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 28635676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).