2-[(4-fluorophenyl)methyl]-3-[[2-[4-(propylcarbamoylamino)phenyl]acetyl]amino]propanamide

C22H27FN4O3 — CID 86880287

IUPAC2-[(4-fluorophenyl)methyl]-3-[[2-[4-(propylcarbamoylamino)phenyl]acetyl]amino]propanamide
SMILESCCCNC(=O)Nc1ccc(CC(=O)NCC(Cc2ccc(F)cc2)C(N)=O)cc1
InChIInChI=1S/C22H27FN4O3/c1-2-11-25-22(30)27-19-9-5-16(6-10-19)13-20(28)26-14-17(21(24)29)12-15-3-7-18(23)8-4-15/h3-10,17H,2,11-14H2,1H3,(H2,24,29)(H,26,28)(H2,25,27,30)
InChIKeyRANKUPLXZLAVNE-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.36
Rot. Bonds10

About 2-[(4-fluorophenyl)methyl]-3-[[2-[4-(propylcarbamoylamino)phenyl]acetyl]amino]propanamide

2-[(4-fluorophenyl)methyl]-3-[[2-[4-(propylcarbamoylamino)phenyl]acetyl]amino]propanamide (PubChem CID 86880287) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3-[[2-[4-(propylcarbamoylamino)phenyl]acetyl]amino]propanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3-[[2-[4-(propylcarbamoylamino)phenyl]acetyl]amino]propanamide
PubChem CID86880287
Molecular FormulaC22H27FN4O3
Molecular Weight414.48 g/mol
Exact Mass414.21
IUPAC Name2-[(4-fluorophenyl)methyl]-3-[[2-[4-(propylcarbamoylamino)phenyl]acetyl]amino]propanamide
SMILESCCCNC(=O)Nc1ccc(CC(=O)NCC(Cc2ccc(F)cc2)C(N)=O)cc1
InChIInChI=1S/C22H27FN4O3/c1-2-11-25-22(30)27-19-9-5-16(6-10-19)13-20(28)26-14-17(21(24)29)12-15-3-7-18(23)8-4-15/h3-10,17H,2,11-14H2,1H3,(H2,24,29)(H,26,28)(H2,25,27,30)
InChIKeyRANKUPLXZLAVNE-UHFFFAOYSA-N
XLogP2.36
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl]-3-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 56819891
3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide
CID 56819888
2-[4-(propylcarbamoylamino)phenyl]-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]acetamide
CID 86971920
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide
CID 95583298
ethyl 2-benzyl-3-(phenylcarbamoylamino)propanoate
CID 60612388
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
(2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide
CID 95583434
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide
CID 56819872
N-[4-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 60587594
N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 56966632
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 95590873
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562693

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-3-[[2-[4-(propylcarbamoylamino)phenyl]acetyl]amino]propanamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3-[[2-[4-(propylcarbamoylamino)phenyl]acetyl]amino]propanamide (CID 86880287) is 2-[(4-fluorophenyl)methyl]-3-[[2-[4-(propylcarbamoylamino)phenyl]acetyl]amino]propanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3-[[2-[4-(propylcarbamoylamino)phenyl]acetyl]amino]propanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3-[[2-[4-(propylcarbamoylamino)phenyl]acetyl]amino]propanamide is CCCNC(=O)Nc1ccc(CC(=O)NCC(Cc2ccc(F)cc2)C(N)=O)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3-[[2-[4-(propylcarbamoylamino)phenyl]acetyl]amino]propanamide?
The InChIKey is RANKUPLXZLAVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3/c1-2-11-25-22(30)27-19-9-5-16(6-10-19)13-20(28)26-14-17(21(24)29)12-15-3-7-18(23)8-4-15/h3-10,17H,2,11-14H2,1H3,(H2,24,29)(H,26,28)(H2,25,27,30).
What are the key properties of 2-[(4-fluorophenyl)methyl]-3-[[2-[4-(propylcarbamoylamino)phenyl]acetyl]amino]propanamide?
2-[(4-fluorophenyl)methyl]-3-[[2-[4-(propylcarbamoylamino)phenyl]acetyl]amino]propanamide has a molecular weight of 414.48 g/mol, XLogP of 2.36, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3-[[2-[4-(propylcarbamoylamino)phenyl]acetyl]amino]propanamide is sourced from PubChem (CID 86880287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).