N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[prop-2-enyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide

C24H25F3N4O3 — CID 42768103

IUPACN-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[prop-2-enyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
SMILESC=CCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C24H25F3N4O3/c1-3-12-30(23(33)28-21-11-5-4-10-20(21)24(25,26)27)17-22(32)31(16-19-9-7-14-34-19)15-18-8-6-13-29(18)2/h3-11,13-14H,1,12,15-17H2,2H3,(H,28,33)
InChIKeyJQHQACONSXOUKV-UHFFFAOYSA-N
MW474.48 g/mol
LogP4.89
Rot. Bonds9

About N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[prop-2-enyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide

N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[prop-2-enyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide (PubChem CID 42768103) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[prop-2-enyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[prop-2-enyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
PubChem CID42768103
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC NameN-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[prop-2-enyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
SMILESC=CCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C24H25F3N4O3/c1-3-12-30(23(33)28-21-11-5-4-10-20(21)24(25,26)27)17-22(32)31(16-19-9-7-14-34-19)15-18-8-6-13-29(18)2/h3-11,13-14H,1,12,15-17H2,2H3,(H,28,33)
InChIKeyJQHQACONSXOUKV-UHFFFAOYSA-N
XLogP4.89
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4546809
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42768102
2-[(2,4-dichlorophenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3646630
2-[(3-bromophenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3876308
N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enyloctanamide
CID 5121435
N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4983558
N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide
CID 5188830
N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 42760198
3-(2-methoxyphenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-prop-2-enylurea
CID 42760139
1-[(1-methylpyrrol-2-yl)methyl]-1-propan-2-yl-3-[2-(trifluoromethyl)phenyl]urea
CID 42760075
2-[(2-bromophenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 5038779
2-[(2-ethoxyphenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3305402

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[prop-2-enyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[prop-2-enyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide (CID 42768103) is N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[prop-2-enyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[prop-2-enyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[prop-2-enyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide is C=CCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[prop-2-enyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide?
The InChIKey is JQHQACONSXOUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-3-12-30(23(33)28-21-11-5-4-10-20(21)24(25,26)27)17-22(32)31(16-19-9-7-14-34-19)15-18-8-6-13-29(18)2/h3-11,13-14H,1,12,15-17H2,2H3,(H,28,33).
What are the key properties of N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[prop-2-enyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide?
N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[prop-2-enyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide has a molecular weight of 474.48 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[prop-2-enyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide is sourced from PubChem (CID 42768103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).