N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide

C26H29FN4O3 — CID 55964556

IUPACN-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C26H29FN4O3/c27-22-9-6-21(18-24(22)30-26(33)12-13-31-14-16-34-17-15-31)29-25(32)11-8-20-7-10-23(28-20)19-4-2-1-3-5-19/h1-7,9-10,18,28H,8,11-17H2,(H,29,32)(H,30,33)
InChIKeyRLKSPPSLMVZTPX-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.05
Rot. Bonds9

About N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide

N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide (PubChem CID 55964556) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
PubChem CID55964556
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC NameN-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C26H29FN4O3/c27-22-9-6-21(18-24(22)30-26(33)12-13-31-14-16-34-17-15-31)29-25(32)11-8-20-7-10-23(28-20)19-4-2-1-3-5-19/h1-7,9-10,18,28H,8,11-17H2,(H,29,32)(H,30,33)
InChIKeyRLKSPPSLMVZTPX-UHFFFAOYSA-N
XLogP4.05
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
CID 119849282
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide
CID 55785751
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55784520
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide
CID 119849290
4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55784620
2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide
CID 60530456
N-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide
CID 55731977
N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
CID 123997655
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119849257
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 60554946
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55889391

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide?
The IUPAC name of N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide (CID 55964556) is N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide.
What is the SMILES notation for N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide?
The canonical SMILES for N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide is O=C(CCc1ccc(-c2ccccc2)[nH]1)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1.
What is the InChIKey of N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide?
The InChIKey is RLKSPPSLMVZTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c27-22-9-6-21(18-24(22)30-26(33)12-13-31-14-16-34-17-15-31)29-25(32)11-8-20-7-10-23(28-20)19-4-2-1-3-5-19/h1-7,9-10,18,28H,8,11-17H2,(H,29,32)(H,30,33).
What are the key properties of N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide?
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide has a molecular weight of 464.54 g/mol, XLogP of 4.05, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide is sourced from PubChem (CID 55964556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).