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

C23H29F3N4O2 — CID 3309264

IUPAC2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCC(C)CN(Cc1cccn1C)C(=O)CN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C23H29F3N4O2/c1-16(2)13-29(14-20-8-5-11-28(20)3)21(31)15-30(19-9-10-19)22(32)27-18-7-4-6-17(12-18)23(24,25)26/h4-8,11-12,16,19H,9-10,13-15H2,1-3H3,(H,27,32)
InChIKeyQSAWSKJSHKJVFE-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.72
Rot. Bonds8

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

2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3309264) has the molecular formula C23H29F3N4O2 and a molecular weight of 450.51 g/mol. Its IUPAC name is 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID3309264
Molecular FormulaC23H29F3N4O2
Molecular Weight450.51 g/mol
Exact Mass450.22
IUPAC Name2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCC(C)CN(Cc1cccn1C)C(=O)CN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C23H29F3N4O2/c1-16(2)13-29(14-20-8-5-11-28(20)3)21(31)15-30(19-9-10-19)22(32)27-18-7-4-6-17(12-18)23(24,25)26/h4-8,11-12,16,19H,9-10,13-15H2,1-3H3,(H,27,32)
InChIKeyQSAWSKJSHKJVFE-UHFFFAOYSA-N
XLogP4.72
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4045932
2-[(3-bromophenyl)carbamoyl-cyclohexylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4033490
2-[cyclohexyl-[(3,4-difluorophenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4675244
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[propyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 3430639
N-cyclopropyl-2-methyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
CID 3984272
2-[cyclohexyl-[(4-nitrophenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3360064
2-[butan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4041937
2-[(3-fluorophenyl)carbamoyl-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3408117
2-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057206
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-propylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4211008
1-benzyl-1-[1-(3-methylbutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 126696222
2-[butan-2-yl-[(3-chlorophenyl)carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 5115216

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3309264) is 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CC(C)CN(Cc1cccn1C)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-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is QSAWSKJSHKJVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O2/c1-16(2)13-29(14-20-8-5-11-28(20)3)21(31)15-30(19-9-10-19)22(32)27-18-7-4-6-17(12-18)23(24,25)26/h4-8,11-12,16,19H,9-10,13-15H2,1-3H3,(H,27,32).
What are the key properties of 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 450.51 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3309264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).