2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C24H25F3N4O3 — CID 4045932

IUPAC2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCn1cccc1CN(Cc1ccco1)C(=O)CN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C24H25F3N4O3/c1-29-11-3-7-20(29)14-30(15-21-8-4-12-34-21)22(32)16-31(19-9-10-19)23(33)28-18-6-2-5-17(13-18)24(25,26)27/h2-8,11-13,19H,9-10,14-16H2,1H3,(H,28,33)
InChIKeyJUOAMUWLSVVMRJ-UHFFFAOYSA-N
MW474.48 g/mol
LogP4.86
Rot. Bonds8

About 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 4045932) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID4045932
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCn1cccc1CN(Cc1ccco1)C(=O)CN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C24H25F3N4O3/c1-29-11-3-7-20(29)14-30(15-21-8-4-12-34-21)22(32)16-31(19-9-10-19)23(33)28-18-6-2-5-17(13-18)24(25,26)27/h2-8,11-13,19H,9-10,14-16H2,1H3,(H,28,33)
InChIKeyJUOAMUWLSVVMRJ-UHFFFAOYSA-N
XLogP4.86
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[(3,4-dichlorophenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3935358
2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3309264
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
CID 3892976
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 3430639
4-tert-butyl-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 1057184
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]nonanamide
CID 5106815
3-chloro-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 1057199
N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 1058435
2-[cyclopropyl-(2-phenylmethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4003243
2-[butan-2-yl-[(3-methylphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4224231
N-(furan-2-ylmethyl)-2-[3-methoxypropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 5041422
N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 42760198

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 4045932) is 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is Cn1cccc1CN(Cc1ccco1)C(=O)CN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is JUOAMUWLSVVMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-29-11-3-7-20(29)14-30(15-21-8-4-12-34-21)22(32)16-31(19-9-10-19)23(33)28-18-6-2-5-17(13-18)24(25,26)27/h2-8,11-13,19H,9-10,14-16H2,1H3,(H,28,33).
What are the key properties of 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 474.48 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 4045932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).