1-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide

C18H22BrN3O3 — CID 56544358

IUPAC1-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C18H22BrN3O3/c1-20-16(24)14-6-3-9-22(14)15(23)11-21-17(25)18(7-8-18)12-4-2-5-13(19)10-12/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,20,24)(H,21,25)
InChIKeyZERLRFFITMMZMT-UHFFFAOYSA-N
MW408.30 g/mol
LogP1.33
Rot. Bonds5

About 1-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide

1-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 56544358) has the molecular formula C18H22BrN3O3 and a molecular weight of 408.30 g/mol. Its IUPAC name is 1-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID56544358
Molecular FormulaC18H22BrN3O3
Molecular Weight408.30 g/mol
Exact Mass407.08
IUPAC Name1-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C18H22BrN3O3/c1-20-16(24)14-6-3-9-22(14)15(23)11-21-17(25)18(7-8-18)12-4-2-5-13(19)10-12/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,20,24)(H,21,25)
InChIKeyZERLRFFITMMZMT-UHFFFAOYSA-N
XLogP1.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[3-[(4-bromobenzoyl)amino]propanoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 56534137
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
(2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 95319810
1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 134062174
(2S)-1-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 95275456
methyl 4-[[2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]benzoate
CID 95273963
1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-propylpiperidine-4-carboxamide
CID 134003440
(2S)-N-methyl-1-[2-[(3-nitrophenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxamide
CID 95149524
1-(3-bromophenyl)-N-(3-phenylprop-2-ynyl)cyclopropane-1-carboxamide
CID 51113044
(2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 95330581
N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide
CID 134034329
N-methyl-1-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]acetyl]pyrrolidine-2-carboxamide
CID 56533854

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide (CID 56544358) is 1-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)CNC(=O)C1(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is ZERLRFFITMMZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O3/c1-20-16(24)14-6-3-9-22(14)15(23)11-21-17(25)18(7-8-18)12-4-2-5-13(19)10-12/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 1-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 408.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56544358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).