3-[4-(4-fluorophenoxy)phenyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide

C21H24FN3O3 — CID 67303730

IUPAC3-[4-(4-fluorophenoxy)phenyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide
SMILESNC(=O)C(Cc1ccc(Oc2ccc(F)cc2)cc1)NC(=O)CN1CCCC1
InChIInChI=1S/C21H24FN3O3/c22-16-5-9-18(10-6-16)28-17-7-3-15(4-8-17)13-19(21(23)27)24-20(26)14-25-11-1-2-12-25/h3-10,19H,1-2,11-14H2,(H2,23,27)(H,24,26)
InChIKeyWRLAFDSKVNJXMR-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.23
Rot. Bonds8

About 3-[4-(4-fluorophenoxy)phenyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide

3-[4-(4-fluorophenoxy)phenyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide (PubChem CID 67303730) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 3-[4-(4-fluorophenoxy)phenyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide.

Molecular Properties

Compound Name3-[4-(4-fluorophenoxy)phenyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide
PubChem CID67303730
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name3-[4-(4-fluorophenoxy)phenyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide
SMILESNC(=O)C(Cc1ccc(Oc2ccc(F)cc2)cc1)NC(=O)CN1CCCC1
InChIInChI=1S/C21H24FN3O3/c22-16-5-9-18(10-6-16)28-17-7-3-15(4-8-17)13-19(21(23)27)24-20(26)14-25-11-1-2-12-25/h3-10,19H,1-2,11-14H2,(H2,23,27)(H,24,26)
InChIKeyWRLAFDSKVNJXMR-UHFFFAOYSA-N
XLogP2.23
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 18269301
2-(azocan-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 2496918
N-[(2S)-4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-piperazin-1-ylacetamide
CID 58522892
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
N-[bis(4-methoxyphenyl)methyl]-2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide
CID 24617564
(2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide
CID 164701774
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46657908
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9130410
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9130407
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-[(2S)-4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]acetamide
CID 58523123
N-[4-(4-fluorophenoxy)phenyl]-3-phenylmethoxy-2-[(2-thiomorpholin-4-ylacetyl)amino]propanamide
CID 67010436

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide?
The IUPAC name of 3-[4-(4-fluorophenoxy)phenyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide (CID 67303730) is 3-[4-(4-fluorophenoxy)phenyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide.
What is the SMILES notation for 3-[4-(4-fluorophenoxy)phenyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide?
The canonical SMILES for 3-[4-(4-fluorophenoxy)phenyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide is NC(=O)C(Cc1ccc(Oc2ccc(F)cc2)cc1)NC(=O)CN1CCCC1.
What is the InChIKey of 3-[4-(4-fluorophenoxy)phenyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide?
The InChIKey is WRLAFDSKVNJXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c22-16-5-9-18(10-6-16)28-17-7-3-15(4-8-17)13-19(21(23)27)24-20(26)14-25-11-1-2-12-25/h3-10,19H,1-2,11-14H2,(H2,23,27)(H,24,26).
What are the key properties of 3-[4-(4-fluorophenoxy)phenyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide?
3-[4-(4-fluorophenoxy)phenyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide has a molecular weight of 385.44 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenoxy)phenyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide is sourced from PubChem (CID 67303730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).