N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide

C19H23ClN2O — CID 42764244

IUPACN-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide
SMILESCCCN(Cc1cccn1Cc1ccccc1Cl)C(=O)C1CC1
InChIInChI=1S/C19H23ClN2O/c1-2-11-22(19(23)15-9-10-15)14-17-7-5-12-21(17)13-16-6-3-4-8-18(16)20/h3-8,12,15H,2,9-11,13-14H2,1H3
InChIKeyPBYOWZIFWPOWFR-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.34
Rot. Bonds7

About N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide

N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide (PubChem CID 42764244) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide
PubChem CID42764244
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide
SMILESCCCN(Cc1cccn1Cc1ccccc1Cl)C(=O)C1CC1
InChIInChI=1S/C19H23ClN2O/c1-2-11-22(19(23)15-9-10-15)14-17-7-5-12-21(17)13-16-6-3-4-8-18(16)20/h3-8,12,15H,2,9-11,13-14H2,1H3
InChIKeyPBYOWZIFWPOWFR-UHFFFAOYSA-N
XLogP4.34
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylbenzamide
CID 4288246
N-[(2S)-butan-2-yl]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclobutanecarboxamide
CID 7347853
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopentanecarboxamide
CID 3594954
N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 3951622
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropylcyclopentanecarboxamide
CID 3987883
1-butyl-1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-cyclohexylurea
CID 3624305
N-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3570217
(E)-N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
CID 6115342
5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide
CID 7364523
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylacetamide
CID 810247
N-butyl-3,5-dichloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 42762963
2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclopropylpropanamide
CID 3980589

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide (CID 42764244) is N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide is CCCN(Cc1cccn1Cc1ccccc1Cl)C(=O)C1CC1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide?
The InChIKey is PBYOWZIFWPOWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-2-11-22(19(23)15-9-10-15)14-17-7-5-12-21(17)13-16-6-3-4-8-18(16)20/h3-8,12,15H,2,9-11,13-14H2,1H3.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide?
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide has a molecular weight of 330.86 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide is sourced from PubChem (CID 42764244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).