N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide

C20H23ClN2O3 — CID 51332873

IUPACN-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)C(C)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-13(2)19(24)23-17-9-7-15(8-10-17)12-22-20(25)14(3)26-18-6-4-5-16(21)11-18/h4-11,13-14H,12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyZHNXKKCKLDGEJK-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.02
Rot. Bonds7

About N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide

N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide (PubChem CID 51332873) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide
PubChem CID51332873
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)C(C)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-13(2)19(24)23-17-9-7-15(8-10-17)12-22-20(25)14(3)26-18-6-4-5-16(21)11-18/h4-11,13-14H,12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyZHNXKKCKLDGEJK-UHFFFAOYSA-N
XLogP4.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64794507
(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide
CID 966199
2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
CID 55364329
4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide
CID 46632597
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2933438
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
(2R)-2-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 28575686
2-(3-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55728053
(2S)-2-(3-chlorophenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 92675494
(2R)-2-(3-chlorophenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 92675493

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide (CID 51332873) is N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(CNC(=O)C(C)Oc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide?
The InChIKey is ZHNXKKCKLDGEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-13(2)19(24)23-17-9-7-15(8-10-17)12-22-20(25)14(3)26-18-6-4-5-16(21)11-18/h4-11,13-14H,12H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide?
N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide has a molecular weight of 374.87 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 51332873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).