N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide

C22H27FN2O3 — CID 87001497

IUPACN-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NC(C)c1cccc(NC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C22H27FN2O3/c1-15(2)28-12-11-21(26)24-16(3)17-8-6-9-19(13-17)25-22(27)14-18-7-4-5-10-20(18)23/h4-10,13,15-16H,11-12,14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyFMGXYFUGTCJIHV-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.00
Rot. Bonds9

About N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide

N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide (PubChem CID 87001497) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide
PubChem CID87001497
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC NameN-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NC(C)c1cccc(NC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C22H27FN2O3/c1-15(2)28-12-11-21(26)24-16(3)17-8-6-9-19(13-17)25-22(27)14-18-7-4-5-10-20(18)23/h4-10,13,15-16H,11-12,14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyFMGXYFUGTCJIHV-UHFFFAOYSA-N
XLogP4.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 87045585
2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide
CID 120986194
N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide
CID 95282952
2-(2-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 6470392
N-[(1S)-1-(3-acetamidophenyl)ethyl]-4-(2-fluorophenoxy)butanamide
CID 52509760
N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide
CID 86849698
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8700805
2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid
CID 122110010
N-[1-(3-acetamidophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46580356
N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-6-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 167908451
N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide
CID 120608696
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide?
The IUPAC name of N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide (CID 87001497) is N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide is CC(C)OCCC(=O)NC(C)c1cccc(NC(=O)Cc2ccccc2F)c1.
What is the InChIKey of N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide?
The InChIKey is FMGXYFUGTCJIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-15(2)28-12-11-21(26)24-16(3)17-8-6-9-19(13-17)25-22(27)14-18-7-4-5-10-20(18)23/h4-10,13,15-16H,11-12,14H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide?
N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide has a molecular weight of 386.47 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 87001497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).