2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide

C23H27ClN2O2 — CID 75453143

IUPAC2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCC1CO)C1CC1c1ccccc1Cl
InChIInChI=1S/C23H27ClN2O2/c24-22-10-4-3-9-19(22)20-12-21(20)23(28)25-13-16-6-1-2-7-17(16)14-26-11-5-8-18(26)15-27/h1-4,6-7,9-10,18,20-21,27H,5,8,11-15H2,(H,25,28)
InChIKeyXWGSFTWNODBYNK-UHFFFAOYSA-N
MW398.93 g/mol
LogP3.72
Rot. Bonds7

About 2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 75453143) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID75453143
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1CN1CCCC1CO)C1CC1c1ccccc1Cl
InChIInChI=1S/C23H27ClN2O2/c24-22-10-4-3-9-19(22)20-12-21(20)23(28)25-13-16-6-1-2-7-17(16)14-26-11-5-8-18(26)15-27/h1-4,6-7,9-10,18,20-21,27H,5,8,11-15H2,(H,25,28)
InChIKeyXWGSFTWNODBYNK-UHFFFAOYSA-N
XLogP3.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

(3S)-N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-1-methylpiperidine-3-carboxamide
CID 129445770
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
(E)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-2-methylbut-2-enamide
CID 132970854
2-fluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzamide
CID 75501739
N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]thiophene-2-carboxamide
CID 97349470
N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 75453940
[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 61407811
5-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110269
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 112829742
[1-[[2-[(oxolan-3-ylamino)methyl]phenyl]methyl]pyrrolidin-2-yl]methanol
CID 86786579
N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55576532
cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide
CID 95781314

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide (CID 75453143) is 2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide is O=C(NCc1ccccc1CN1CCCC1CO)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is XWGSFTWNODBYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c24-22-10-4-3-9-19(22)20-12-21(20)23(28)25-13-16-6-1-2-7-17(16)14-26-11-5-8-18(26)15-27/h1-4,6-7,9-10,18,20-21,27H,5,8,11-15H2,(H,25,28).
What are the key properties of 2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 398.93 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 75453143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).