3-[(3-fluorophenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrol-1-ylbenzamide

C25H20F2N4O2 — CID 141480905

IUPAC3-[(3-fluorophenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1cccc(F)c1)Nc1cc(C(=O)NCc2cccc(F)c2)ccc1-n1cccc1
InChIInChI=1S/C25H20F2N4O2/c26-19-6-3-5-17(13-19)16-28-24(32)18-9-10-23(31-11-1-2-12-31)22(14-18)30-25(33)29-21-8-4-7-20(27)15-21/h1-15H,16H2,(H,28,32)(H2,29,30,33)
InChIKeyJZINYWWZVPSOMI-UHFFFAOYSA-N
MW446.46 g/mol
LogP5.33
Rot. Bonds6

About 3-[(3-fluorophenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrol-1-ylbenzamide

3-[(3-fluorophenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrol-1-ylbenzamide (PubChem CID 141480905) has the molecular formula C25H20F2N4O2 and a molecular weight of 446.46 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrol-1-ylbenzamide
PubChem CID141480905
Molecular FormulaC25H20F2N4O2
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name3-[(3-fluorophenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1cccc(F)c1)Nc1cc(C(=O)NCc2cccc(F)c2)ccc1-n1cccc1
InChIInChI=1S/C25H20F2N4O2/c26-19-6-3-5-17(13-19)16-28-24(32)18-9-10-23(31-11-1-2-12-31)22(14-18)30-25(33)29-21-8-4-7-20(27)15-21/h1-15H,16H2,(H,28,32)(H2,29,30,33)
InChIKeyJZINYWWZVPSOMI-UHFFFAOYSA-N
XLogP5.33
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.46
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)carbamoylamino]-4-pyrrolidin-1-ylbenzamide
CID 46348858
N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide
CID 46348983
3-[(3-chloro-2-methylphenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 46348878
N-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135222520
3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide
CID 4919610
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 113244666
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 24597417
4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide
CID 86986467
N-[(3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103612084
4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide
CID 103830502

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of 3-[(3-fluorophenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrol-1-ylbenzamide (CID 141480905) is 3-[(3-fluorophenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for 3-[(3-fluorophenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for 3-[(3-fluorophenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrol-1-ylbenzamide is O=C(Nc1cccc(F)c1)Nc1cc(C(=O)NCc2cccc(F)c2)ccc1-n1cccc1.
What is the InChIKey of 3-[(3-fluorophenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is JZINYWWZVPSOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O2/c26-19-6-3-5-17(13-19)16-28-24(32)18-9-10-23(31-11-1-2-12-31)22(14-18)30-25(33)29-21-8-4-7-20(27)15-21/h1-15H,16H2,(H,28,32)(H2,29,30,33).
What are the key properties of 3-[(3-fluorophenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrol-1-ylbenzamide?
3-[(3-fluorophenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 446.46 g/mol, XLogP of 5.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)carbamoylamino]-N-[(3-fluorophenyl)methyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 141480905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).