ethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate

C20H24ClN3O3 — CID 42764486

IUPACethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(Cc1cccn1Cc1ccccc1Cl)C1CC1
InChIInChI=1S/C20H24ClN3O3/c1-2-27-19(25)12-22-20(26)24(16-9-10-16)14-17-7-5-11-23(17)13-15-6-3-4-8-18(15)21/h3-8,11,16H,2,9-10,12-14H2,1H3,(H,22,26)
InChIKeyUHEFBQUMEHLRSI-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.43
Rot. Bonds8

About ethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate

ethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate (PubChem CID 42764486) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is ethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate
PubChem CID42764486
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Nameethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(Cc1cccn1Cc1ccccc1Cl)C1CC1
InChIInChI=1S/C20H24ClN3O3/c1-2-27-19(25)12-22-20(26)24(16-9-10-16)14-17-7-5-11-23(17)13-15-6-3-4-8-18(15)21/h3-8,11,16H,2,9-10,12-14H2,1H3,(H,22,26)
InChIKeyUHEFBQUMEHLRSI-UHFFFAOYSA-N
XLogP3.43
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate with MolForge

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Related Compounds

3-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropyl-2,2-dimethylpropanamide
CID 42764278
4-tert-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropylbenzamide
CID 42764279
2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropylpropanamide
CID 3980589
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-(propylamino)acetamide
CID 42768565
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylacetamide
CID 810247
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropylcyclopentanecarboxamide
CID 3987883
1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexyl-3-[2-(trifluoromethyl)phenyl]urea
CID 4597621
1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexyl-3-(2-methoxyphenyl)urea
CID 5014615
1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexyl-3-(3,4-dimethylphenyl)urea
CID 4011360
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropylfuran-2-carboxamide
CID 3414991
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylhexanamide
CID 5176645
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-3-cyclopentylpropanamide
CID 4010761

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate (CID 42764486) is ethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(Cc1cccn1Cc1ccccc1Cl)C1CC1.
What is the InChIKey of ethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate?
The InChIKey is UHEFBQUMEHLRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-2-27-19(25)12-22-20(26)24(16-9-10-16)14-17-7-5-11-23(17)13-15-6-3-4-8-18(15)21/h3-8,11,16H,2,9-10,12-14H2,1H3,(H,22,26).
What are the key properties of ethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate?
ethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate has a molecular weight of 389.88 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclopropylcarbamoyl]amino]acetate is sourced from PubChem (CID 42764486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).