N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide

C19H21ClN2O — CID 110648111

IUPACN-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(N2CCCC2)cc1)NCc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O/c20-18-6-2-1-5-16(18)14-21-19(23)13-15-7-9-17(10-8-15)22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,21,23)
InChIKeyFBAODSKUKUOUQG-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.80
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide

N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 110648111) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID110648111
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(N2CCCC2)cc1)NCc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O/c20-18-6-2-1-5-16(18)14-21-19(23)13-15-7-9-17(10-8-15)22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,21,23)
InChIKeyFBAODSKUKUOUQG-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649990
N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 35619356
2-[4-(4-bromophenyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 171336093
2-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110648259
N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891703
1-[4-[(2-chlorophenyl)methyl]phenyl]pyrrolidine
CID 141287996
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110648315
N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 110688132
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
3-[4-(azepan-1-yl)phenyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827764
N-[(2-chlorophenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109021431
2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 112992648

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide (CID 110648111) is N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(Cc1ccc(N2CCCC2)cc1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is FBAODSKUKUOUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-18-6-2-1-5-16(18)14-21-19(23)13-15-7-9-17(10-8-15)22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 328.84 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110648111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).