N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide

C18H18ClNO4 — CID 8634222

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)c(C=O)c1
InChIInChI=1S/C18H18ClNO4/c1-12(13-3-5-15(19)6-4-13)20-18(22)11-24-17-8-7-16(23-2)9-14(17)10-21/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyFJZVWSABTHRFLR-LBPRGKRZSA-N
MW347.80 g/mol
LogP3.42
Rot. Bonds7

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide (PubChem CID 8634222) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide
PubChem CID8634222
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)c(C=O)c1
InChIInChI=1S/C18H18ClNO4/c1-12(13-3-5-15(19)6-4-13)20-18(22)11-24-17-8-7-16(23-2)9-14(17)10-21/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyFJZVWSABTHRFLR-LBPRGKRZSA-N
XLogP3.42
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8633812
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652877
2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 8633827
2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 24595104
N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 43874167
2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8634027
N-(cyanomethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 43267879
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 7726595
2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28567361
2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28567363
N-(1,2-diphenylethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 18272328
2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide
CID 60734519

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide (CID 8634222) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)c(C=O)c1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide?
The InChIKey is FJZVWSABTHRFLR-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-12(13-3-5-15(19)6-4-13)20-18(22)11-24-17-8-7-16(23-2)9-14(17)10-21/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide has a molecular weight of 347.80 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide is sourced from PubChem (CID 8634222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).