2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide

C17H18ClNO4 — CID 60528119

IUPAC2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)Oc2ccccc2Cl)cc1O
InChIInChI=1S/C17H18ClNO4/c1-11(23-15-6-4-3-5-13(15)18)17(21)19-10-12-7-8-16(22-2)14(20)9-12/h3-9,11,20H,10H2,1-2H3,(H,19,21)
InChIKeyBYAVKANPKSQYBR-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.14
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide

2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide (PubChem CID 60528119) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide
PubChem CID60528119
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Name2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)Oc2ccccc2Cl)cc1O
InChIInChI=1S/C17H18ClNO4/c1-11(23-15-6-4-3-5-13(15)18)17(21)19-10-12-7-8-16(22-2)14(20)9-12/h3-9,11,20H,10H2,1-2H3,(H,19,21)
InChIKeyBYAVKANPKSQYBR-UHFFFAOYSA-N
XLogP3.14
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 26529894
2-(2,4-dichlorophenoxy)-N-[(3,4-dihydroxyphenyl)methyl]propanamide
CID 70843494
(2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 28635676
2-(2-chlorophenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 132656973
2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282907
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 55419304
(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015153
methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 60739964
2-(2-ethylphenoxy)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46763837
(2R)-N-benzyl-2-(2,3-dichlorophenoxy)propanamide
CID 7542636
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94016454
2-(2-chlorophenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133189350

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide (CID 60528119) is 2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)C(C)Oc2ccccc2Cl)cc1O.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide?
The InChIKey is BYAVKANPKSQYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-11(23-15-6-4-3-5-13(15)18)17(21)19-10-12-7-8-16(22-2)14(20)9-12/h3-9,11,20H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide?
2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide has a molecular weight of 335.79 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 60528119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).