N-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide

C20H23FN2O3 — CID 52509760

IUPACN-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide
SMILESCC(=O)Nc1cccc([C@H](C)NC(=O)CCCOc2ccccc2F)c1
InChIInChI=1S/C20H23FN2O3/c1-14(16-7-5-8-17(13-16)23-15(2)24)22-20(25)11-6-12-26-19-10-4-3-9-18(19)21/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,22,25)(H,23,24)/t14-/m0/s1
InChIKeyYNIQBKYIEBZWMQ-AWEZNQCLSA-N
MW358.41 g/mol
LogP3.82
Rot. Bonds8

About N-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide

N-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide (PubChem CID 52509760) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide
PubChem CID52509760
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide
SMILESCC(=O)Nc1cccc([C@H](C)NC(=O)CCCOc2ccccc2F)c1
InChIInChI=1S/C20H23FN2O3/c1-14(16-7-5-8-17(13-16)23-15(2)24)22-20(25)11-6-12-26-19-10-4-3-9-18(19)21/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,22,25)(H,23,24)/t14-/m0/s1
InChIKeyYNIQBKYIEBZWMQ-AWEZNQCLSA-N
XLogP3.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-4-naphthalen-1-yloxybutanamide
CID 55710931
N-[1-(3-acetamidophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46580356
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide
CID 87001497
N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide
CID 120608696
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide
CID 82014074
2-(2-fluorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 42563585
N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide
CID 103155311
N-[3-[1-(2-fluoroanilino)ethyl]phenyl]acetamide
CID 43201351
N-[1-(3-acetamidophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 46598816
N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-(2-fluorophenyl)-2-methylpropanamide
CID 95292299

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide?
The IUPAC name of N-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide (CID 52509760) is N-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide.
What is the SMILES notation for N-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide?
The canonical SMILES for N-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide is CC(=O)Nc1cccc([C@H](C)NC(=O)CCCOc2ccccc2F)c1.
What is the InChIKey of N-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide?
The InChIKey is YNIQBKYIEBZWMQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-14(16-7-5-8-17(13-16)23-15(2)24)22-20(25)11-6-12-26-19-10-4-3-9-18(19)21/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,22,25)(H,23,24)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide?
N-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide has a molecular weight of 358.41 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 52509760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).